Geometry & MOs

Info

ID:	268310
PubChem CID:	103598889
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	353.080968
ΔH_f, kcal/mol:	14.34
Dipole, Da:	6.83
IP(EA), eV:	-9.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)N2CCC3=C(C2)C=NN3

DOS

IR

Vibrations