Geometry & MOs

Info

ID:	440220
PubChem CID:	135230132
Reduced:	NO2C29H31 (1)
Stoich.:	AB2C29D31 (1)
Weight, g/mol:	454.119858
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	1.72
IP(EA), eV:	-8.22(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3-benzoxazol-2-yl)-2-hydroxy-8,8,9-trimethyl-2H-pyrano[3,2-g]quinolin-6-yl]methanesulfonic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=C(C=C2)C3=CCCC4=C3C=CC(=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations