Geometry & MOs

Info

ID:	347494
PubChem CID:	127272349
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	383.148121
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	4.31
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2CC3=CC=CC=C3S2)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations