Geometry & MOs

Info

ID:	257320
PubChem CID:	103145201
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	352.02227
ΔH_f, kcal/mol:	-25.29
Dipole, Da:	9.09
IP(EA), eV:	-8.75(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CCC(C)NC1=C(C=C(C(=C1)C)[N+](=O)[O-])C

DOS

IR

Vibrations