Geometry & MOs

Info

ID:	401961
PubChem CID:	135053585
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	292.182715
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	4.4
IP(EA), eV:	-10.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-tert-butylphenyl)-2-methyl-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2(CCCCC2)C#N

DOS

IR

Vibrations