Geometry & MOs

Info

ID:

449150

PubChem CID:

135296388

Reduced:

ISO5N8H37C38 (1)

Stoich.:

ABC5D8E37F38 (1)

Weight, g/mol:

679.402545

ΔHf, kcal/mol:

-29.13

Dipole, Da:

7.15

IP(EA), eV:

 -9.11(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[(3E)-5-methylhexa-3,5-dien-3-yl]oxyphenyl]-1-[3-[4-(6-phenylmethoxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-yl)phenoxy]propyl]piperidine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCOCCCOC4=CC=CC5=C4C=C(C=N5)N6C=CC(=O)NC6=O)C7=CC=C(C=C7)I)C

DOS

IR

Vibrations