Geometry & MOs

Info

ID:	285258
PubChem CID:	104098852
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	223.089167
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	4.43
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCO2)CNCCN3C=CN=N3

DOS

IR

Vibrations