Geometry & MOs

Info

ID:	89790
PubChem CID:	49964562
Reduced:	O2S2N5C22H25 (1)
Stoich.:	A2B2C5D22E25 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	5.16
Dipole, Da:	3.96
IP(EA), eV:	-9.18(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CSC2=NN3C(=O)C4=C(CCN(C4)CCC5=CC=CC=C5)N=C3S2

DOS

IR

Vibrations