Geometry & MOs

Info

ID:	193535
PubChem CID:	78404567
Reduced:	N3O3H17C20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	393.114713
ΔH_f, kcal/mol:	-0.23
Dipole, Da:	8.21
IP(EA), eV:	-8.43(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-pyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCCN1C(=C2C(=C3C=CC=CC3=O)NN=C2C1=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations