Geometry & MOs

Info

ID:	220463
PubChem CID:	85195451
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-77.67
Dipole, Da:	5.16
IP(EA), eV:	-9.46(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-4-methylidene-2,3,3a,5,6,8a-hexahydroazulen-1-yl) acetate

Drug info:

PubChemData

Smile

CCC(C12CCCC(C1=O)C3CC2C=C3)O

DOS

IR

Vibrations