Geometry & MOs

Info

ID:	173341
PubChem CID:	75625500
Reduced:	ClO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	335.120068
ΔH_f, kcal/mol:	8.99
Dipole, Da:	5.38
IP(EA), eV:	-9.46(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)C3=C(N(N=C3)C)C

DOS

IR

Vibrations