Geometry & MOs

Info

ID:	151794
PubChem CID:	56310600
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	443.197569
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	2.79
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(2-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=NC(=NO3)C4=CC=CC=C4C

DOS

IR

Vibrations