Geometry & MOs

Info

ID:	309312
PubChem CID:	126544414
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	462.131503
ΔH_f, kcal/mol:	37.92
Dipole, Da:	4.0
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)C1=C(CC(=C(C1C2=CC3=CC=CC=C3N=C2)C#N)N)C

DOS

IR

Vibrations