Geometry & MOs

Info

ID:	299906
PubChem CID:	117928721
Reduced:	ClNO2H24C27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	491.162762
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	3.89
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-naphthalen-1-yl-N-[[4-[3-(trifluoromethyl)phenyl]naphthalen-2-yl]methyl]ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=CC3=CC=CC=C32)CNCCC4=CC(=CC=C4)Cl)C(=O)O

DOS

IR

Vibrations