Geometry & MOs

Info

ID:	48095
PubChem CID:	10537126
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-121.62
Dipole, Da:	3.66
IP(EA), eV:	-9.71(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-methylidene-5,6,8,9-tetrahydro-4H-as-indaceno[4,5-b]furan

Drug info:

PubChemData

Smile

CC1(OC[C@H]2C=C[C@H](O[C@@H]2CO1)CC=C)C

DOS

IR

Vibrations