Geometry & MOs

Info

ID:	184536
PubChem CID:	77174206
Reduced:	O2F3N7C16H20 (1)
Stoich.:	A2B3C7D16E20 (1)
Weight, g/mol:	301.204179
ΔH_f, kcal/mol:	-179.19
Dipole, Da:	6.55
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-amino-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,16-diol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCC(C2)N(C(C)C(F)(F)F)C(=O)O)NC3=CC=NN3

DOS

IR

Vibrations