Geometry & MOs

Info

ID:	399578
PubChem CID:	135041035
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	5.6
IP(EA), eV:	-9.65(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-4-prop-2-enoxypent-1-ynyl)benzene

Drug info:

PubChemData

Smile

CC(C)CCC[C@]12CCC(=O)C=C1CCCC2=O

DOS

IR

Vibrations