Geometry & MOs

Info

ID:	122416
PubChem CID:	50805505
Reduced:	ClFN2O2H14C18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	302.143056
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	2.27
IP(EA), eV:	-9.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2F)C(=O)NCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations