Geometry & MOs

Info

ID:	251267
PubChem CID:	103102620
Reduced:	BrClN2O2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	313.04259
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	0.26
IP(EA), eV:	-9.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-bromo-1-cyclopropyl-N-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(C=CC(=C1)Br)Cl

DOS

IR

Vibrations