Geometry & MOs

Info

ID:	335722
PubChem CID:	127254584
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	355.128054
ΔH_f, kcal/mol:	-175.72
Dipole, Da:	3.26
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(3-anilinopropanoylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3CCCCC3)O

DOS

IR

Vibrations