Geometry & MOs

Info

ID:

433012

PubChem CID:

135173149

Reduced:

FON10H25C26 (1)

Stoich.:

ABC10D25E26 (1)

Weight, g/mol:

428.29266

ΔHf, kcal/mol:

123.14

Dipole, Da:

7.44

IP(EA), eV:

 -8.61(-2.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[(3Z)-5-hydroxy-4-(methoxymethyl)-6-methylhepta-1,3,5-trien-2-yl]-4,4-dimethylcyclohexyl]-2-(methoxymethyl)-6-methylphenol

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CN=CC3=N/C(=C\4/C5=C(C(=NC=C5NN4)C6=CC(=CN=C6)NC(CC(C)C)O)F)/N=C23

DOS

IR

Vibrations