Geometry & MOs

Info

ID:	311880
PubChem CID:	126598703
Reduced:	F2N2O3H24C27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	265.251798
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	7.42
IP(EA), eV:	-8.38(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-1-yl]methyl]piperidine

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C3=C(C=C(C=C3)N4CC(C4)F)OC2=C1)C5=CC=CC=C5C(=O)O)N6CC(C6)F

DOS

IR

Vibrations