Geometry & MOs

Info

ID:	438704
PubChem CID:	135228455
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	379.251129
ΔH_f, kcal/mol:	-134.58
Dipole, Da:	3.17
IP(EA), eV:	-9.86(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-[2-methyl-N-[3-(4-methylphenoxy)propyl]anilino]hex-5-en-2-one

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\1/CC(OC1O)C

DOS

IR

Vibrations