Geometry & MOs

Info

ID:	371717
PubChem CID:	131270987
Reduced:	ON3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	316.9066
ΔH_f, kcal/mol:	30.27
Dipole, Da:	3.76
IP(EA), eV:	-10.2(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-1-chloro-3-nitro-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C)C1=NOC=C1CC(C#N)N

DOS

IR

Vibrations