Geometry & MOs

Info

ID:	151903
PubChem CID:	56310727
Reduced:	FN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	-141.27
Dipole, Da:	2.65
IP(EA), eV:	-8.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-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)N(C)CC3=CC=CC=C3F

DOS

IR

Vibrations