Geometry & MOs

Info

ID:	374745
PubChem CID:	131342592
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-9.95
Dipole, Da:	4.65
IP(EA), eV:	-8.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-amino-3-nitro-5,6,7,8-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC(C)(CC#N)C1=C(C=CC(=C1)N(C)C)O

DOS

IR

Vibrations