Geometry & MOs

Info

ID:	290753
PubChem CID:	110007721
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-83.53
Dipole, Da:	2.32
IP(EA), eV:	-9.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-methyl-3-(4-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COCC1=C(SC=C1)C(=O)N(CCO)C2CC2

DOS

IR

Vibrations