Geometry & MOs

Info

ID:	216893
PubChem CID:	85086936
Reduced:	ClO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	312.149222
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	6.3
IP(EA), eV:	-9.44(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-3-methyl-2-oxopent-3-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=O)C3(C2=O)CC(C4=CC=CC=C34)Cl

DOS

IR

Vibrations