Geometry & MOs

Info

ID:	152121
PubChem CID:	56310981
Reduced:	ClN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-111.24
Dipole, Da:	3.5
IP(EA), eV:	-8.49(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-(2-phenoxyethylamino)ethyl]-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)NC(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations