Geometry & MOs

Info

ID:	217352
PubChem CID:	85087671
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-87.04
Dipole, Da:	4.92
IP(EA), eV:	-9.69(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1-acetylaziridin-2-yl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=C3C(=NC(=NC3=O)N)CC2

DOS

IR

Vibrations