Geometry & MOs

Info

ID:	154039
PubChem CID:	56313404
Reduced:	FN2O4C26H33 (1)
Stoich.:	AB2C4D26E33 (1)
Weight, g/mol:	363.174691
ΔH_f, kcal/mol:	-190.7
Dipole, Da:	4.6
IP(EA), eV:	-8.87(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NCC(C)(C)C2=CC=CC=C2F)OCC(=O)N3CCCCC3

DOS

IR

Vibrations