Geometry & MOs

Info

ID:	18133
PubChem CID:	538448
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	3.32
IP(EA), eV:	-9.88(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,7-dimethyl-4-methylidene-3-bicyclo[4.1.0]heptanyl) 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC1CC2C(C2(C)C)CC1=C

DOS

IR

Vibrations