Geometry & MOs

Info

ID:	359354
PubChem CID:	127298406
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	395.210344
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	5.04
IP(EA), eV:	-8.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations