Geometry & MOs

Info

ID:	282922
PubChem CID:	103945786
Reduced:	INSO2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-66.57
Dipole, Da:	3.81
IP(EA), eV:	-9.61(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=CSC(=C1)I

DOS

IR

Vibrations