Geometry & MOs

Info

ID:	18168
PubChem CID:	538652
Reduced:	O3C14H24 (1)
Stoich.:	A3B14C24 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-145.58
Dipole, Da:	6.29
IP(EA), eV:	-9.17(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methoxy-3,3,7-trimethyloxepan-2-ylidene)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC=C1C(CCCC(O1)(C)OC)(C)C

DOS

IR

Vibrations