Geometry & MOs

Info

ID:	395902
PubChem CID:	135026860
Reduced:	O3N7H15C17 (1)
Stoich.:	A3B7C15D17 (1)
Weight, g/mol:	383.059217
ΔH_f, kcal/mol:	36.53
Dipole, Da:	8.37
IP(EA), eV:	-8.97(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-1H-indol-3-yl)-N-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CN2C(=C(C(C3=C2N=C(C(=C3N)C#N)N)C4=CC=C(C=C4)O)[N+](=O)[O-])N1

DOS

IR

Vibrations