Geometry & MOs

Info

ID:	269320
PubChem CID:	103616984
Reduced:	SN2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	45.46
Dipole, Da:	1.39
IP(EA), eV:	-9.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations