Geometry & MOs

Info

ID:	131561
PubChem CID:	51227237
Reduced:	FN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	384.098918
ΔH_f, kcal/mol:	-118.55
Dipole, Da:	2.04
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1CN(C2=CC=CC=C2O1)CC3=C(C=CC(=C3)F)OC

DOS

IR

Vibrations