Geometry & MOs

Info

ID:	153118
PubChem CID:	56312258
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	5.9
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations