Geometry & MOs

Info

ID:	336260
PubChem CID:	127255267
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-90.53
Dipole, Da:	4.59
IP(EA), eV:	-9.31(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NCC4CC4

DOS

IR

Vibrations