Geometry & MOs

Info

ID:	156044
PubChem CID:	56368890
Reduced:	BrON4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	355.12593
ΔH_f, kcal/mol:	30.06
Dipole, Da:	2.21
IP(EA), eV:	-9.11(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC(C)C2=C(N(N=C2)C3=CC=CC=C3)C)Br

DOS

IR

Vibrations