Geometry & MOs

Info

ID:	405257
PubChem CID:	135073200
Reduced:	NPSC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	5.48
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one

Drug info:

PubChemData

Smile

CC(C)C/C(=N/P(=S)(C1=CC=CC=C1)C2=CC=CC=C2)/C

DOS

IR

Vibrations