Geometry & MOs

Info

ID:	335713
PubChem CID:	127254575
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	294.09642
ΔH_f, kcal/mol:	26.73
Dipole, Da:	5.86
IP(EA), eV:	-9.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2)N4C=NN=N4

DOS

IR

Vibrations