Geometry & MOs

Info

ID:	448629
PubChem CID:	135292345
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	467.194402
ΔH_f, kcal/mol:	118.81
Dipole, Da:	1.93
IP(EA), eV:	-8.27(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[(3aS)-1,6-dimethyl-10,11-dioxo-3a,7,8,11a-tetrahydronaphtho[1,2-g][1]benzofuran-2-yl]methyl-methylamino]ethoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1(CC2C3CC4C5CC6CC4=C7C5C(C6)(C1)CC2=C37)N

DOS

IR

Vibrations