Geometry & MOs

Info

ID:

177450

PubChem CID:

76186570

Reduced:

Cl2N3H13C20 (1)

Stoich.:

A2B3C13D20 (1)

Weight, g/mol:

1002.606843

ΔHf, kcal/mol:

112.16

Dipole, Da:

6.35

IP(EA), eV:

 -8.63(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[6-[[6-[3-[6-[[6-(4-hydroxy-3,5-dimethylhex-1-enyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]octa-2,4,6-trienal

Drug info:

PubChemData

Smile

C1=CC2=NC(=C(N2C=C1)N=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations