Geometry & MOs

Info

ID:	250504
PubChem CID:	103097148
Reduced:	SN2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	252.16602
ΔH_f, kcal/mol:	27.8
Dipole, Da:	2.59
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CN)C1=NC2=C(S1)CC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations