Geometry & MOs

Info

ID:	285309
PubChem CID:	104099004
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	223.089167
ΔH_f, kcal/mol:	6.87
Dipole, Da:	4.03
IP(EA), eV:	-9.64(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1COCCC1NCCN2C=CN=N2

DOS

IR

Vibrations