Geometry & MOs

Info

ID:	268315
PubChem CID:	103598899
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	66.12
Dipole, Da:	2.94
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)N3CCC4=C(C3)C=NN4

DOS

IR

Vibrations