Geometry & MOs

Info

ID:	250499
PubChem CID:	103097128
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	224.13472
ΔH_f, kcal/mol:	-10.31
Dipole, Da:	1.86
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)SC(=N2)C(C)(C)CN

DOS

IR

Vibrations