Geometry & MOs

Info

ID:	9101
PubChem CID:	86029
Reduced:	O2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	266.22458
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	2.69
IP(EA), eV:	-8.68(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)cyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC(C(C(C1)(C)C)C(=O)C)(C)C

DOS

IR

Vibrations