Geometry & MOs

Info

ID:	267359
PubChem CID:	103582000
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	6.19
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2=CN(N=C2C)C

DOS

IR

Vibrations