Geometry & MOs

Info

ID:	346569
PubChem CID:	127271073
Reduced:	O3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	374.206639
ΔH_f, kcal/mol:	-100.0
Dipole, Da:	7.34
IP(EA), eV:	-8.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-oxo-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations