Geometry & MOs

Info

ID:	25197
PubChem CID:	620935
Reduced:	O2F3N6H23C24 (1)
Stoich.:	A2B3C6D23E24 (1)
Weight, g/mol:	288.245316
ΔH_f, kcal/mol:	-86.7
Dipole, Da:	5.98
IP(EA), eV:	-8.82(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=CN1CCN(CC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C(=O)C(F)(F)F)C#N

DOS

IR

Vibrations