Geometry & MOs

Info

ID:	340324
PubChem CID:	127262335
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	282.201737
ΔH_f, kcal/mol:	-62.35
Dipole, Da:	2.39
IP(EA), eV:	-9.77(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(butylsulfanylmethylidene)cyclododecan-1-one

Drug info:

PubChemData

Smile

CC(=C)CO/N=C\1/CCCCCCCCCCC1=O

DOS

IR

Vibrations