Geometry & MOs

Info

ID:	253557
PubChem CID:	103119224
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	22.17
Dipole, Da:	4.54
IP(EA), eV:	-9.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-nonyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)CC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations