Geometry & MOs

Info

ID:	317324
PubChem CID:	126635791
Reduced:	ClON6C22H23 (1)
Stoich.:	ABC6D22E23 (1)
Weight, g/mol:	448.215078
ΔH_f, kcal/mol:	67.21
Dipole, Da:	1.27
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1E,6E)-7-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-3,5-dimethylidenehepta-1,6-dienyl]-1H-indole

Drug info:

PubChemData

Smile

C/C=C\C(=N/N=C/C(=O)N1CCC2=NC(=NC=C2C1)NC3CC4=CC=CC=C4C3)\Cl

DOS

IR

Vibrations