Geometry & MOs

Info

ID:	126232
PubChem CID:	50956285
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	4.28
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-imidazol-5-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCC(=CC1)CNC(=O)CSC2=CC=CC=C2

DOS

IR

Vibrations