Geometry & MOs

Info

ID:	133956
PubChem CID:	51620457
Reduced:	ON4C23H33 (1)
Stoich.:	AB4C23D33 (1)
Weight, g/mol:	381.265437
ΔH_f, kcal/mol:	9.51
Dipole, Da:	3.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141093
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-[4-(dimethylamino)phenyl]-2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[NH+]2CCN(CC2)[C@@H](C)C(=O)NC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations