Geometry & MOs

Info

ID:	8071
PubChem CID:	74879
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-61.33
Dipole, Da:	3.45
IP(EA), eV:	-9.26(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butyl-2,6-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C

DOS

IR

Vibrations