Geometry & MOs

Info

ID:	252325
PubChem CID:	103110585
Reduced:	BrN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	3.54
IP(EA), eV:	-10.08(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations