Geometry & MOs

Info

ID:	148578
PubChem CID:	53788246
Reduced:	C11H14 (2)
Stoich.:	A11B14 (2)
Weight, g/mol:	180.046967
ΔH_f, kcal/mol:	44.62
Dipole, Da:	1.43
IP(EA), eV:	-9.35(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-thiazole

Drug info:

PubChemData

Smile

CC1C(C2C3C4C1C(=C)C(=C)C4C(C(=C)C3C(=C)C2=C)C)C

DOS

IR

Vibrations