Geometry & MOs

Info

ID:	380385
PubChem CID:	134970819
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	316.206986
ΔH_f, kcal/mol:	-70.95
Dipole, Da:	3.7
IP(EA), eV:	-8.65(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=CC#C/C(=C/C[C@@H](C1=COC(=C)C1)OC(=O)C)/C)C

DOS

IR

Vibrations