Geometry & MOs

Info

ID:	38331
PubChem CID:	8030620
Reduced:	ON5C17H24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	404.18667
ΔH_f, kcal/mol:	37.37
Dipole, Da:	2.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.058679
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-ethyl-9-(2,2,6,6-tetramethylpiperidin-4-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CO3)N)CCN(C)C)C

DOS

IR

Vibrations