Geometry & MOs

Info

ID:	178955
PubChem CID:	76407029
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	4.6
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[4-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidine-1-carbonyl]pyran-4-one

Drug info:

PubChemData

Smile

CN1CC(CC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C3=CC=CS3

DOS

IR

Vibrations