Geometry & MOs

Info

ID:	309257
PubChem CID:	126541242
Reduced:	ClFNOSC7H7 (1)
Stoich.:	ABCDEF7G7 (1)
Weight, g/mol:	319.093247
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	2.13
IP(EA), eV:	-8.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]aniline

Drug info:

PubChemData

Smile

CS(=O)NC1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations