Geometry & MOs

Info

ID:	280048
PubChem CID:	103846549
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	223.139471
ΔH_f, kcal/mol:	-48.77
Dipole, Da:	1.74
IP(EA), eV:	-8.81(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylsulfanylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)OCC(C)C)N

DOS

IR

Vibrations