Geometry & MOs

Info

ID:	348153
PubChem CID:	127273215
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	6.84
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)C

DOS

IR

Vibrations