Geometry & MOs

Info

ID:	273186
PubChem CID:	103770650
Reduced:	FNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-188.46
Dipole, Da:	2.92
IP(EA), eV:	-9.25(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CCOC1=CC(=CC=C1)F)O

DOS

IR

Vibrations