Geometry & MOs

Info

ID:	343174
PubChem CID:	127266347
Reduced:	F2O3N4C15H16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	301.117489
ΔH_f, kcal/mol:	-154.6
Dipole, Da:	5.95
IP(EA), eV:	-9.21(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-nitrophenyl)-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC(=CC(=C2)F)F)NC(=O)NCC3COCO3

DOS

IR

Vibrations