Geometry & MOs

Info

ID:	89947
PubChem CID:	49965572
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	4.98
IP(EA), eV:	-8.51(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C3=C(C(=O)N2CC(OC)OC)NNC3=C4C=CC(=O)C=C4

DOS

IR

Vibrations