Geometry & MOs

Info

ID:	140885
PubChem CID:	52776325
Reduced:	ON2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	-0.98
Dipole, Da:	3.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.167525
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-2-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations