Geometry & MOs

Info

ID:	19378
PubChem CID:	562780
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	5.14
IP(EA), eV:	-9.58(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6-benzyl-5-oxo-4,7-dihydro-1H-pyrazolo[3,4-c]pyridin-3-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=NNC2=C1CC(=O)N(C2)CC3=CC=CC=C3

DOS

IR

Vibrations