Geometry & MOs

Info

ID:	355641
PubChem CID:	127289399
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	40.07
Dipole, Da:	8.57
IP(EA), eV:	-8.89(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NC=CN2C)N3C=NC4=CC=CC=C43

DOS

IR

Vibrations