Geometry & MOs

Info

ID:	379654
PubChem CID:	134454586
Reduced:	F2N2O2C21H24 (1)
Stoich.:	A2B2C2D21E24 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-128.96
Dipole, Da:	3.17
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(3aR,6aS)-5-(6-fluoropyridin-3-yl)oxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]phenol

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)OC3=C(N=CC=C3)F)C4=CC(=C(C=C4)O)F

DOS

IR

Vibrations