Geometry & MOs

Info

ID:	253489
PubChem CID:	103118740
Reduced:	SO2N5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-9.07
Dipole, Da:	7.96
IP(EA), eV:	-8.71(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(cyclopentylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=NN(C=C2)C)C3CCS(=O)(=O)C3)N

DOS

IR

Vibrations