Geometry & MOs

Info

ID:	25421
PubChem CID:	624580
Reduced:	O5C20H24 (1)
Stoich.:	A5B20C24 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-187.77
Dipole, Da:	4.01
IP(EA), eV:	-10.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-11a-methyl-3,3a,10,11-tetrahydro-2H-cyclopenta[i]phenanthridin-1-one

Drug info:

PubChemData

Smile

CC12C(C=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)OC)OC2=O)O

DOS

IR

Vibrations