Geometry & MOs

Info

ID:	21757
PubChem CID:	589784
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	3.44
IP(EA), eV:	-9.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2=CC=CC=C2C1=O

DOS

IR

Vibrations