Geometry & MOs

Info

ID:	19820
PubChem CID:	573436
Reduced:	BO3C22H33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	356.252275
ΔH_f, kcal/mol:	-97.88
Dipole, Da:	2.25
IP(EA), eV:	-8.43(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(2-methyl-1,3,2-dioxaborolan-4-ylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

B1(OCC(=C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O1)C

DOS

IR

Vibrations