Geometry & MOs

Info

ID:	336134
PubChem CID:	127255141
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	358.138953
ΔH_f, kcal/mol:	-34.88
Dipole, Da:	5.25
IP(EA), eV:	-8.95(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

COCCN1C(=O)C2=C(C=CC(=C2)NC(=O)CCCN3C=CC=C3)N=N1

DOS

IR

Vibrations