Geometry & MOs

Info

ID:	268316
PubChem CID:	103598900
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	381.135638
ΔH_f, kcal/mol:	50.73
Dipole, Da:	6.32
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzyl-5-chloro-3-methylpyrazol-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(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)N3CCC4=C(C3)C=NN4)C

DOS

IR

Vibrations