Geometry & MOs

Info

ID:	271433
PubChem CID:	103677620
Reduced:	ClON2H4C5 (2)
Stoich.:	ABC2D4E5 (2)
Weight, g/mol:	313.155705
ΔH_f, kcal/mol:	5.67
Dipole, Da:	3.53
IP(EA), eV:	-9.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1Cl)C(=O)NCCC2=NOC=N2)Cl

DOS

IR

Vibrations