Geometry & MOs

Info

ID:	179793
PubChem CID:	76533018
Reduced:	FON8C22H27 (1)
Stoich.:	ABC8D22E27 (1)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	1.21
Dipole, Da:	4.83
IP(EA), eV:	-9.27(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,16,17-tetrol

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)NC2CCCC(C2)NC3=NC(=NC=C3F)C4=C5C=CC=NC5=NN4

DOS

IR

Vibrations