Geometry & MOs

Info

ID:	89868
PubChem CID:	49965093
Reduced:	N3O6C23H25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-123.41
Dipole, Da:	5.3
IP(EA), eV:	-8.4(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-3-(3-methoxyphenyl)-4-thiophen-2-yl-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)NNC3=C4C=CC(=O)C=C4)OC

DOS

IR

Vibrations