Geometry & MOs

Info

ID:	156323
PubChem CID:	56370078
Reduced:	O3N5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	444.11609
ΔH_f, kcal/mol:	-23.02
Dipole, Da:	6.46
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC2=C(C=C(C=C2)C(=O)NC3CCN(C3)C4CCCCCC4)[N+](=O)[O-]

DOS

IR

Vibrations