Geometry & MOs

Info

ID:	13631
PubChem CID:	396347
Reduced:	O2N3H29C33 (1)
Stoich.:	A2B3C29D33 (1)
Weight, g/mol:	499.225977
ΔH_f, kcal/mol:	33.81
Dipole, Da:	4.47
IP(EA), eV:	-8.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-4-[[3-(4-phenylphenyl)prop-2-enoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations