Geometry & MOs

Info

ID:	315542
PubChem CID:	126627527
Reduced:	F2O3N4H28C30 (1)
Stoich.:	A2B3C4D28E30 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	3.6
IP(EA), eV:	-8.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-enyl-4-methylpiperidin-1-yl)-5-(2-methoxy-2-oxoethyl)-6-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)N=C/C(=C\N)/CC3=CC=C(C=C3)F)C(=C1CC(=O)O)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations