Geometry & MOs

Info

ID:	25034
PubChem CID:	617477
Reduced:	FO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	348.210073
ΔH_f, kcal/mol:	-207.48
Dipole, Da:	3.37
IP(EA), eV:	-9.62(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-10-formyl-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CC=C4C3(CCC(C4)F)C=O)C

DOS

IR

Vibrations