Geometry & MOs

Info

ID:	74073
PubChem CID:	48421423
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	349.0062
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	7.32
IP(EA), eV:	-8.62(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=CN(N=C3)CC(=O)N)C

DOS

IR

Vibrations