Geometry & MOs

Info

ID:	253972
PubChem CID:	103121931
Reduced:	O3N5C10H17 (1)
Stoich.:	A3B5C10D17 (1)
Weight, g/mol:	253.063346
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	9.23
IP(EA), eV:	-10.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)N1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations