Geometry & MOs

Info

ID:	359353
PubChem CID:	127298405
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	387.22704
ΔH_f, kcal/mol:	-95.77
Dipole, Da:	7.14
IP(EA), eV:	-8.86(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations