Geometry & MOs

Info

ID:	192178
PubChem CID:	78236467
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	75.82
Dipole, Da:	19.3
IP(EA), eV:	-5.95(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)pyrazolidin-3-one

Drug info:

PubChemData

Smile

CN1C(=O)C2C(=[N+](C1=O)C)N=C3N2C(=CS3)C[N+]4=CC=CC(=C4)CC5=CC=CC=C5

DOS

IR

Vibrations