Geometry & MOs

Info

ID:	295819
PubChem CID:	117544956
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	252.048797
ΔH_f, kcal/mol:	35.27
Dipole, Da:	3.17
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=C(S2)CNC)C

DOS

IR

Vibrations