Geometry & MOs

Info

ID:	22235
PubChem CID:	596356
Reduced:	BrN3O4C10H10 (1)
Stoich.:	AB3C4D10E10 (1)
Weight, g/mol:	314.98547
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	7.7
IP(EA), eV:	-9.89(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(4-nitrophenyl)carbamoyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NC(=O)CCBr)[N+](=O)[O-]

DOS

IR

Vibrations