Geometry & MOs

Info

ID:	251888
PubChem CID:	103107586
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	281.05826
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	3.3
IP(EA), eV:	-8.35(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC=CC=C1N2CCCC2

DOS

IR

Vibrations