Geometry & MOs

Info

ID:	424400
PubChem CID:	135122549
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-87.5
Dipole, Da:	6.83
IP(EA), eV:	-9.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoyl morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCCOC(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations