Geometry & MOs

Info

ID:	372981
PubChem CID:	131307981
Reduced:	ClNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-41.82
Dipole, Da:	3.98
IP(EA), eV:	-9.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-amino-6-bromo-8-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol

Drug info:

PubChemData

Smile

COCC1=C(C=C(C=C1)C(C#N)O)Cl

DOS

IR

Vibrations