Geometry & MOs

Info

ID:	263271
PubChem CID:	103351011
Reduced:	BrClFN2O2H9C13 (1)
Stoich.:	ABCD2E2F9G13 (1)
Weight, g/mol:	387.9381
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	1.82
IP(EA), eV:	-9.05(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-nitrophenyl)methyl]-2,5-dichloro-4-methylaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=CC(=CC(=C2)Br)[N+](=O)[O-])Cl)F

DOS

IR

Vibrations