Geometry & MOs

Info

ID:	188838
PubChem CID:	77772904
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	435.288577
ΔH_f, kcal/mol:	-163.4
Dipole, Da:	7.37
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2,6-dimethylpiperidin-2-yl)pentyl]-2-[3-(methylamino)phenyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)NCCCCC2=CC=C(C=C2)C=NN

DOS

IR

Vibrations