Geometry & MOs

Info

ID:	254002
PubChem CID:	103122093
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	266.065119
ΔH_f, kcal/mol:	42.82
Dipole, Da:	4.05
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC#C)NC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations