Geometry & MOs

Info

ID:	137814
PubChem CID:	52266693
Reduced:	ON4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	0.77
Dipole, Da:	2.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.970951
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(dimethylamino)pyridin-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)NCC=C

DOS

IR

Vibrations