Geometry & MOs

Info

ID:	257321
PubChem CID:	103145209
Reduced:	BrFN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	308.072784
ΔH_f, kcal/mol:	-21.89
Dipole, Da:	7.69
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations