Geometry & MOs

Info

ID:	153018
PubChem CID:	56312133
Reduced:	ClN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-139.32
Dipole, Da:	6.18
IP(EA), eV:	-8.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-methylphenyl)methylamino]-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)CC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations