Geometry & MOs

Info

ID:	411244
PubChem CID:	135084057
Reduced:	O3H10C11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	188.156501
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	3.78
IP(EA), eV:	-9.93(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-prop-2-ynylideneundec-5-yne

Drug info:

PubChemData

Smile

C1C(C(=O)CC(=O)O1)C2=CC=CC=C2

DOS

IR

Vibrations