Geometry & MOs

Info

ID:	421341
PubChem CID:	135115804
Reduced:	FO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	5.34
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-[methyl(2-phenylmethoxyethyl)amino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(C)NC2=C(C=CC=N2)C(=O)N3CCCC3)F

DOS

IR

Vibrations