Geometry & MOs

Info

ID:	89791
PubChem CID:	49964603
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	399.139448
ΔH_f, kcal/mol:	-107.9
Dipole, Da:	2.3
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations