Geometry & MOs

Info

ID:	382619
PubChem CID:	134973887
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	136.125201
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	3.07
IP(EA), eV:	-8.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4-dimethyloct-6-en-1-yne

Drug info:

PubChemData

Smile

CNC1=CC(=C2N(C1=O)[C@@H](CS2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations