Geometry & MOs

Info

ID:	253964
PubChem CID:	103121858
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	305.05826
ΔH_f, kcal/mol:	48.73
Dipole, Da:	5.42
IP(EA), eV:	-9.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C2=NOC(=N2)C3=NN(C=C3)C)N

DOS

IR

Vibrations