Geometry & MOs

Info

ID:	253428
PubChem CID:	103118371
Reduced:	O3N4C10H18 (1)
Stoich.:	A3B4C10D18 (1)
Weight, g/mol:	278.117904
ΔH_f, kcal/mol:	-95.67
Dipole, Da:	3.14
IP(EA), eV:	-9.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(2-fluorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CN1C(=C(N=N1)C(=O)OC)CCN)O

DOS

IR

Vibrations