Geometry & MOs

Info

ID:	7313
PubChem CID:	72110
Reduced:	SN2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	196.10342
ΔH_f, kcal/mol:	8.07
Dipole, Da:	2.23
IP(EA), eV:	-8.94(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)CCC(C2)CNC

DOS

IR

Vibrations