Geometry & MOs

Info

ID:	268318
PubChem CID:	103598903
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	271.11209
ΔH_f, kcal/mol:	32.98
Dipole, Da:	5.26
IP(EA), eV:	-9.51(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CC2=C1NN=C2)C(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations