Geometry & MOs

Info

ID:	270674
PubChem CID:	103637598
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	313.07897
ΔH_f, kcal/mol:	-64.7
Dipole, Da:	3.46
IP(EA), eV:	-8.89(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)C2=C(C=CC=N2)O

DOS

IR

Vibrations