Geometry & MOs

Info

ID:	421667
PubChem CID:	135116400
Reduced:	NO3F4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-320.81
Dipole, Da:	1.58
IP(EA), eV:	-9.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@H]1O)C(=O)O)CC2=CC(=C(C=C2)C(F)(F)F)F

DOS

IR

Vibrations