Geometry & MOs

Info

ID:	138189
PubChem CID:	52326617
Reduced:	ON2C22H25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	332.188863
ΔH_f, kcal/mol:	33.18
Dipole, Da:	5.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.414359
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-3-phenylpropyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations