Geometry & MOs

Info

ID:	373375
PubChem CID:	131314366
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-49.78
Dipole, Da:	2.48
IP(EA), eV:	-8.29(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-5-tert-butyl-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(C)C1=C2CCCC(=O)C2=C(C=C1)N

DOS

IR

Vibrations