Geometry & MOs

Info

ID:	89876
PubChem CID:	49965127
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	4.05
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-3-(3-methoxyphenyl)-4-(4-methylphenyl)-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=CC=C4

DOS

IR

Vibrations