Geometry & MOs

Info

ID:	272932
PubChem CID:	103767989
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	252.048797
ΔH_f, kcal/mol:	-79.85
Dipole, Da:	4.06
IP(EA), eV:	-8.56(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NCC(=O)OC

DOS

IR

Vibrations