Geometry & MOs

Info

ID:	148623
PubChem CID:	53788291
Reduced:	SiO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-72.62
Dipole, Da:	1.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751575
Charge, e:	0

Chem-info

IUPAC name:

[(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] nitrate

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC=CC=C1)O[Si])OCCO

DOS

IR

Vibrations