Geometry & MOs

Info

ID:	253995
PubChem CID:	103122070
Reduced:	ON3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	305.05826
ΔH_f, kcal/mol:	98.48
Dipole, Da:	5.66
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C#C

DOS

IR

Vibrations