Geometry & MOs

Info

ID:	292397
PubChem CID:	115001278
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	7.98
IP(EA), eV:	-9.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)NC(C)(C2CC2)C(=O)O

DOS

IR

Vibrations