Geometry & MOs

Info

ID:	152327
PubChem CID:	56311241
Reduced:	ClFN3O3C22H25 (1)
Stoich.:	ABC3D3E22F25 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-144.98
Dipole, Da:	6.35
IP(EA), eV:	-8.85(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(4-methylphenyl)-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)NC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations