Geometry & MOs

Info

ID:	269332
PubChem CID:	103617012
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	10.22
IP(EA), eV:	-9.04(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)CC(=O)C2=C(NC(=C2)C)C)C

DOS

IR

Vibrations