Geometry & MOs

Info

ID:	282262
PubChem CID:	103920385
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-114.97
Dipole, Da:	5.44
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)/C=C/C1=C(C=CC(=C1)C)OC

DOS

IR

Vibrations