Geometry & MOs

Info

ID:	282819
PubChem CID:	103941106
Reduced:	FNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	329.094934
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	4.97
IP(EA), eV:	-9.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dichlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CCO)NC(=O)C1=CC(=CC=C1)F

DOS

IR

Vibrations