Geometry & MOs

Info

ID:	89887
PubChem CID:	49965202
Reduced:	N4O5C22H24 (1)
Stoich.:	A4B5C22D24 (1)
Weight, g/mol:	399.143035
ΔH_f, kcal/mol:	-87.61
Dipole, Da:	1.86
IP(EA), eV:	-8.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations