Geometry & MOs

Info

ID:	193536
PubChem CID:	78404568
Reduced:	SN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	370.083268
ΔH_f, kcal/mol:	14.0
Dipole, Da:	10.36
IP(EA), eV:	-8.38(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-4-(4-nitrophenyl)-1,2,3,3a,4,5-hexahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

COCCN1C(=C2C(=C3C=CC=CC3=O)NN=C2C1=O)C4=CC=C(C=C4)SC

DOS

IR

Vibrations