Geometry & MOs

Info

ID:	177837
PubChem CID:	76240148
Reduced:	OS2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	389.081016
ΔH_f, kcal/mol:	67.98
Dipole, Da:	5.5
IP(EA), eV:	-8.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=CC(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

DOS

IR

Vibrations