Geometry & MOs

Info

ID:	372855
PubChem CID:	131306020
Reduced:	NSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-15.36
Dipole, Da:	5.31
IP(EA), eV:	-9.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(5-methoxynaphthalen-1-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(S2)CO)C#N

DOS

IR

Vibrations