Geometry & MOs

Info

ID:	373208
PubChem CID:	131311608
Reduced:	BrClN2H4C7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	237.995676
ΔH_f, kcal/mol:	55.76
Dipole, Da:	2.04
IP(EA), eV:	-10.12(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(difluoromethoxy)-5-nitroaniline

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=N1)Cl)C#N)Br

DOS

IR

Vibrations