Geometry & MOs

Info

ID:	406998
PubChem CID:	135079090
Reduced:	SN2O2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	11.95
Dipole, Da:	6.21
IP(EA), eV:	-9.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-but-3-enylphenyl)hex-5-en-1-yn-3-yl acetate

Drug info:

PubChemData

Smile

CC(C)(C)/C=C/C(=N/S(=O)(=O)C1=CC=CC2=C1N=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations