Geometry & MOs

Info

ID:	217279
PubChem CID:	85087547
Reduced:	SiO4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	348.266445
ΔH_f, kcal/mol:	-175.21
Dipole, Da:	5.89
IP(EA), eV:	-9.27(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC1CC(C(C1[Si](C)(C)C2=CC=CC=C2)C(C(=O)OC)OC)C=O

DOS

IR

Vibrations