Geometry & MOs

Info

ID:	24619
PubChem CID:	611408
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-86.25
Dipole, Da:	1.84
IP(EA), eV:	-9.34(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2,2-dimethylpropylidene)-2-phenylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C=C1CC(C(C1)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations