Geometry & MOs

Info

ID:	382521
PubChem CID:	134973733
Reduced:	CrOC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	272.141245
ΔH_f, kcal/mol:	85.11
Dipole, Da:	2.77
IP(EA), eV:	-7.47(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7a,11-trimethyl-3,4,5,8-tetrahydro-2H-benzo[i][1]benzoxepine-7,9-dione

Drug info:

PubChemData

Smile

CC#CCCOC(=[Cr])C1=C(C=CC=C1C)C

DOS

IR

Vibrations