Geometry & MOs

Info

ID:	393744
PubChem CID:	135021590
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	394.178024
ΔH_f, kcal/mol:	24.73
Dipole, Da:	2.71
IP(EA), eV:	-8.02(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=CC=CC=C21)OC)C#CCOCC#C

DOS

IR

Vibrations