Geometry & MOs

Info

ID:	413058
PubChem CID:	135086002
Reduced:	NOC15H16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	298.061037
ΔH_f, kcal/mol:	8.19
Dipole, Da:	2.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.157928
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=[NH2+])C2=CC=C(C=C2)OC

DOS

IR

Vibrations