Geometry & MOs

Info

ID:	89869
PubChem CID:	49965095
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	408.14337
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	4.13
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-3-(3-nitrophenyl)-4-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NNC3=C2C(N(C3=O)CC(OC)OC)C4=CC=CS4

DOS

IR

Vibrations