Geometry & MOs

Info

ID:	187938
PubChem CID:	77645714
Reduced:	FON4C23H25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-9.31
Dipole, Da:	3.65
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2-trihydroxy-10,13-dimethyl-3,4,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2C(CNN2)C3=CC(=C(C=C3)F)C4=C(N=CC=C4)C(C)(C)O

DOS

IR

Vibrations