Geometry & MOs

Info

ID:	244977
PubChem CID:	99431921
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	5.65
IP(EA), eV:	-8.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(5-ethyl-2-hydroxybenzoyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)CN4C=CC5=CC=CC=C54

DOS

IR

Vibrations