Geometry & MOs

Info

ID:	367585
PubChem CID:	127325047
Reduced:	ON2C15H28 (1)
Stoich.:	AB2C15D28 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-79.2
Dipole, Da:	4.18
IP(EA), eV:	-8.7(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperidin-1-yl-2-[4-[3-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)CC(=O)N2CCCN(CC2)C

DOS

IR

Vibrations