Geometry & MOs

Info

ID:	206962
PubChem CID:	80324951
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	3.23
IP(EA), eV:	-9.07(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC(C)(C)CC(=O)C

DOS

IR

Vibrations