Geometry & MOs

Info

ID:	369953
PubChem CID:	127336930
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	3.03
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)C(=O)CNC(=O)C3=CSC=C3

DOS

IR

Vibrations