Geometry & MOs

Info

ID:	152120
PubChem CID:	56310980
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	443.197569
ΔH_f, kcal/mol:	-134.23
Dipole, Da:	4.04
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(4-chlorophenyl)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=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations