Geometry & MOs

Info

ID:	195454
PubChem CID:	78687398
Reduced:	NF2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	361.155705
ΔH_f, kcal/mol:	-217.38
Dipole, Da:	4.93
IP(EA), eV:	-8.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(2-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C=CC2=CC(=C(C=C2)OC(F)F)OCC

DOS

IR

Vibrations