Geometry & MOs

Info

ID:	367014
PubChem CID:	127322869
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-152.23
Dipole, Da:	1.41
IP(EA), eV:	-9.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-piperidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2CCCO2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations