Geometry & MOs

Info

ID:	448627
PubChem CID:	135292330
Reduced:	O2H9C11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	435.168188
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	5.32
IP(EA), eV:	-9.06(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,6-dimethyl-10,11-dioxonaphtho[1,2-g][1]benzofuran-2-yl)methyl-(1-hydroxyethyl)amino]ethyl acetate

Drug info:

PubChemData

Smile

CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC(=C4C)COC(=C)C

DOS

IR

Vibrations