Geometry & MOs

Info

ID:	25886
PubChem CID:	632638
Reduced:	O7C24H26 (1)
Stoich.:	A7B24C26 (1)
Weight, g/mol:	382.232807
ΔH_f, kcal/mol:	-216.0
Dipole, Da:	4.9
IP(EA), eV:	-8.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

Drug info:

PubChemData

Smile

CCC1(C(C1(C(=O)OC)C(=O)OC)C2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations