Geometry & MOs

Info

ID:	38401
PubChem CID:	8035065
Reduced:	ClFN2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	354.129905
ΔH_f, kcal/mol:	37.78
Dipole, Da:	2.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755512
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C[NH2+]CC[C@@H](C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations