Geometry & MOs

Info

ID:	268309
PubChem CID:	103598855
Reduced:	ClSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-20.9
Dipole, Da:	3.05
IP(EA), eV:	-8.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)NC2=C(C=C(C=C2)OC)Cl

DOS

IR

Vibrations