Geometry & MOs

Info

ID:	13585
PubChem CID:	301226
Reduced:	NOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-33.63
Dipole, Da:	1.94
IP(EA), eV:	-8.94(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol

Drug info:

PubChemData

Smile

CC1CN=C(S1)C2=C(C=C(C=C2C)O)C

DOS

IR

Vibrations