Geometry & MOs

Info

ID:	355648
PubChem CID:	127289406
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	12.92
Dipole, Da:	4.43
IP(EA), eV:	-8.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CC=C2C(=O)N3CCN(CC3)CC4=NC=CN4C)C

DOS

IR

Vibrations