Geometry & MOs

Info

ID:	256239
PubChem CID:	103137887
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	4.29
IP(EA), eV:	-8.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)NC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations