Geometry & MOs

Info

ID:	208860
PubChem CID:	80595659
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	315.105978
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	3.82
IP(EA), eV:	-8.74(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CCSC(C1)C(=O)N2CCCC(C2)CN

DOS

IR

Vibrations