Geometry & MOs

Info

ID:	374216
PubChem CID:	131325548
Reduced:	ClFNOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	1.9
IP(EA), eV:	-9.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-4-methyl-2-nitro-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2F)CCl

DOS

IR

Vibrations