Geometry & MOs

Info

ID:	184267
PubChem CID:	77137543
Reduced:	O2N3C9H13 (2)
Stoich.:	A2B3C9D13 (2)
Weight, g/mol:	276.102254
ΔH_f, kcal/mol:	-94.28
Dipole, Da:	5.7
IP(EA), eV:	-9.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluorophenyl)triazol-1-yl]-3-(1-hydroxyethyl)azetidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CN(C=O)O)C(=O)N2C(CCN2)C(=O)NC3=CN=CN=C3

DOS

IR

Vibrations