Geometry & MOs

Info

ID:	225504
PubChem CID:	85852585
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	360.302831
ΔH_f, kcal/mol:	-60.84
Dipole, Da:	1.6
IP(EA), eV:	-9.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(5-hydroxypentan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CNCC(=O)OC1=CC=CC=C1OCC2=CC=CC=C2

DOS

IR

Vibrations