Geometry & MOs

Info

ID:	74174
PubChem CID:	48421547
Reduced:	ON6C18H32 (1)
Stoich.:	AB6C18D32 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	5.74
IP(EA), eV:	-8.4(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-methylpyridin-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCC(CC2)CCN3CCN(CC3)C)C

DOS

IR

Vibrations