Geometry & MOs

Info

ID:	179083
PubChem CID:	76431208
Reduced:	FON3C29H34 (1)
Stoich.:	ABC3D29E34 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-40.49
Dipole, Da:	4.18
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CC(CN(C2)CC3=CC4=CC=CC=C4C=C3)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations