Geometry & MOs

Info

ID:

219497

PubChem CID:

85148761

Reduced:

NO7C30H31 (1)

Stoich.:

AB7C30D31 (1)

Weight, g/mol:

517.188923

ΔHf, kcal/mol:

-226.53

Dipole, Da:

4.24

IP(EA), eV:

 -9.16(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6,11-diethynyl-2-hydroxy-7-methyl-9,9-diphenyl-7,7a,10a,11-tetrahydro-6H-[1,3]dioxolo[4,5-j]phenanthridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(C(=O)OC)O)C(C(=O)OC)NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)C

DOS

IR

Vibrations