Geometry & MOs

Info

ID:	73786
PubChem CID:	48420428
Reduced:	O4N6H14C15 (1)
Stoich.:	A4B6C14D15 (1)
Weight, g/mol:	306.112819
ΔH_f, kcal/mol:	28.86
Dipole, Da:	6.65
IP(EA), eV:	-10.07(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-[(4-fluorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations