Geometry & MOs

Info

ID:	367609
PubChem CID:	127325099
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-131.19
Dipole, Da:	7.72
IP(EA), eV:	-8.99(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)CC3C4=CC=CC=C4CCO3

DOS

IR

Vibrations