Geometry & MOs

Info

ID:	399638
PubChem CID:	135041400
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	2.15
IP(EA), eV:	-9.05(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2,2,7-trimethyl-4-prop-1-en-2-yloxepan-3-one

Drug info:

PubChemData

Smile

CC1=C(CCCC1)CC2COC(O2)C3=CC=CC=C3

DOS

IR

Vibrations