Geometry & MOs

Info

ID:	89809
PubChem CID:	49964786
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	427.129884
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	2.19
IP(EA), eV:	-8.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2C3=C(C(=O)N2CC(OC)OC)NN=C3C4=CC=CC=C4)OC

DOS

IR

Vibrations