Geometry & MOs

Info

ID:	292396
PubChem CID:	115001277
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	7.18
IP(EA), eV:	-9.84(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoic acid

Drug info:

PubChemData

Smile

CN1C=NN=C1CNC2(CCCCC2)C(=O)O

DOS

IR

Vibrations