Geometry & MOs

Info

ID:	208071
PubChem CID:	80491880
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	268.043712
ΔH_f, kcal/mol:	47.66
Dipole, Da:	2.31
IP(EA), eV:	-8.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C2=CSC=N2)NC)C

DOS

IR

Vibrations