Geometry & MOs

Info

ID:	413059
PubChem CID:	135086003
Reduced:	ClNF3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	297.053211
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.166243
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=[NH2+])C2=C(C(=CC=C2)C(F)(F)F)Cl

DOS

IR

Vibrations