Geometry & MOs

Info

ID:	203039
PubChem CID:	79767314
Reduced:	BrN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	313.0062
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	9.45
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-nitrophenyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=CC(=C(C=C1)Br)[N+](=O)[O-])N

DOS

IR

Vibrations