Geometry & MOs

Info

ID:	270907
PubChem CID:	103638690
Reduced:	BrN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	313.04259
ΔH_f, kcal/mol:	-2.1
Dipole, Da:	6.3
IP(EA), eV:	-9.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-])C

DOS

IR

Vibrations