Geometry & MOs

Info

ID:	89867
PubChem CID:	49965092
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	439.174336
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	4.83
IP(EA), eV:	-8.65(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(C1=O)NNC2=C3C=CC(=O)C=C3)C4=CN=CC=C4)OC

DOS

IR

Vibrations