Geometry & MOs

Info

ID:	89875
PubChem CID:	49965126
Reduced:	OSN4C8H8 (1)
Stoich.:	ABC4D8E8 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	69.85
Dipole, Da:	1.4
IP(EA), eV:	-9.09(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)N/C=C(\C#N)/C(=S)N

DOS

IR

Vibrations