Geometry & MOs

Info

ID:	89888
PubChem CID:	49965204
Reduced:	N3O6C20H21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-132.78
Dipole, Da:	4.15
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C3=C(NN=C3C(=O)N2CC(OC)OC)C4=CC=CO4)O

DOS

IR

Vibrations