Geometry & MOs

Info

ID:	268314
PubChem CID:	103598897
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	5.48
IP(EA), eV:	-8.29(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CCCCC2)C)C=CC(=O)N3CCC4=C(C3)C=NN4

DOS

IR

Vibrations