Geometry & MOs

Info

ID:	379988
PubChem CID:	134964433
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	285.053211
ΔH_f, kcal/mol:	-23.5
Dipole, Da:	0.82
IP(EA), eV:	-9.05(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-3-(trifluoromethyl)phenyl]-phenylmethanamine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)C2=CN=C(C=C2C)OC

DOS

IR

Vibrations