Geometry & MOs

Info

ID:	343943
PubChem CID:	127267119
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	289.133888
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	4.92
IP(EA), eV:	-8.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)CNC(=O)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations