Geometry & MOs

Info

ID:	424372
PubChem CID:	135122429
Reduced:	IO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	471.080883
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	2.09
IP(EA), eV:	-9.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenoxy]phenoxy]acetate

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCI

DOS

IR

Vibrations