Geometry & MOs

Info

ID:	273612
PubChem CID:	103771482
Reduced:	FNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-186.64
Dipole, Da:	2.75
IP(EA), eV:	-9.26(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-hydroxy-4-methylpentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations