Geometry & MOs

Info

ID:	381353
PubChem CID:	134972063
Reduced:	O3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	362.24571
ΔH_f, kcal/mol:	-206.0
Dipole, Da:	2.16
IP(EA), eV:	-9.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-(1-ethoxyethoxy)-4,4-dimethyl-2,3,5,6,8,9-hexahydro-1H-benzo[7]annulen-7-yl]prop-2-ynyl acetate

Drug info:

PubChemData

Smile

COCCOCOCC1=C(C=CC(=C1)OC)C(=O)C2=CC=CC=C2CO

DOS

IR

Vibrations