Geometry & MOs

Info

ID:	122422
PubChem CID:	50805777
Reduced:	FN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	3.33
IP(EA), eV:	-9.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2F)C(=O)NCCCOC(C)C

DOS

IR

Vibrations