Geometry & MOs

Info

ID:	394671
PubChem CID:	135023484
Reduced:	O2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	122.073165
ΔH_f, kcal/mol:	-85.2
Dipole, Da:	3.48
IP(EA), eV:	-9.76(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2,3-dimethylhex-2-en-4-ynal

Drug info:

PubChemData

Smile

C1CC(OC1)C=CCO

DOS

IR

Vibrations