Geometry & MOs

Info

ID:	382788
PubChem CID:	134974138
Reduced:	BrSi2O4C23H41 (1)
Stoich.:	AB2C4D23E41 (1)
Weight, g/mol:	254.203451
ΔH_f, kcal/mol:	-302.55
Dipole, Da:	2.51
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,13R)-10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C[C@@](O1)(C2=CC=C(C=C2)Br)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations