Geometry & MOs

Info

ID:	152805
PubChem CID:	56311879
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	427.22712
ΔH_f, kcal/mol:	-132.22
Dipole, Da:	4.19
IP(EA), eV:	-8.11(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-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)CC3=C(C=CC(=C3)C(=O)C)OC

DOS

IR

Vibrations