Geometry & MOs

Info

ID:	89866
PubChem CID:	49965091
Reduced:	S2N3O3C17H17 (1)
Stoich.:	A2B3C3D17E17 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-11.75
Dipole, Da:	7.13
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(NN=C2C1=O)C3=CC=CS3)C4=CC=CS4)OC

DOS

IR

Vibrations