Geometry & MOs

Info

ID:	187930
PubChem CID:	77644750
Reduced:	NO7C39H41 (1)
Stoich.:	AB7C39D41 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-228.95
Dipole, Da:	4.19
IP(EA), eV:	-8.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-1,2,3,4,5,6,7,8,9,12-decahydrocyclopenta[a]phenanthrene-11,16,17-trione

Drug info:

PubChemData

Smile

CC1(OCC2=C(O1)C=CC(=C2)C3CN(C(=O)O3)CCC4=CC=C(C=C4)OCCCCC5=CC(=CC=C5)C(=O)OCC6=CC=CC=C6)C

DOS

IR

Vibrations