Geometry & MOs

Info

ID:	156227
PubChem CID:	56369707
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	405.10519
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	10.74
IP(EA), eV:	-7.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=CC=C(C=C2)NC(=O)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations