Geometry & MOs

Info

ID:	401116
PubChem CID:	135050203
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	3.43
IP(EA), eV:	-8.29(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)/C=C(/NC2CCCCC2)\SC

DOS

IR

Vibrations