Geometry & MOs

Info

ID:	38386
PubChem CID:	8034458
Reduced:	ClO3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	366.170533
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	7.37
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)N2CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations