Geometry & MOs

Info

ID:	48386
PubChem CID:	10543655
Reduced:	NO2F3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-185.02
Dipole, Da:	4.66
IP(EA), eV:	-9.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,4aR,4bS,7S,8aR,10aR)-7-(methoxymethoxy)-2-methylidene-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-1-yl]propanal

Drug info:

PubChemData

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C[C@@H](CC1=C2C=COC2=C(C3=C1OC=C3)C(F)(F)F)N

DOS

IR

Vibrations