Geometry & MOs

Info

ID:	268320
PubChem CID:	103598909
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	42.9
Dipole, Da:	5.79
IP(EA), eV:	-9.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitrophenyl)-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=CC=CS3

DOS

IR

Vibrations