Geometry & MOs

Info

ID:	73789
PubChem CID:	48420432
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	320.128469
ΔH_f, kcal/mol:	-42.42
Dipole, Da:	7.29
IP(EA), eV:	-9.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=C(C=C3)CC(=O)OCCN4C=NC=N4

DOS

IR

Vibrations