Geometry & MOs

Info

ID:	20748
PubChem CID:	585496
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-99.81
Dipole, Da:	3.39
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-6-propan-2-yl-4-oxatricyclo[6.2.1.02,7]undec-2-en-5-one

Drug info:

PubChemData

Smile

CC(C)C1C2C3CCC(C3)C2=C(OC1=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations