Geometry & MOs

Info

ID:	282702
PubChem CID:	103936653
Reduced:	ClN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	266.064447
ΔH_f, kcal/mol:	52.72
Dipole, Da:	5.13
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(C)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations