Geometry & MOs

Info

ID:	38398
PubChem CID:	8034901
Reduced:	O2N5H19C22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	302.139233
ΔH_f, kcal/mol:	84.16
Dipole, Da:	9.32
IP(EA), eV:	-8.11(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-9-[[(2R)-oxolan-2-yl]methyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C3=NC(=C4C=CC=CC4=O)NN3C=N2)C5=CC=CC=C5OC)C

DOS

IR

Vibrations