Geometry & MOs

Info

ID:	358357
PubChem CID:	127295902
Reduced:	ClFO2N3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-127.56
Dipole, Da:	4.48
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-piperidin-1-ylpyrrolidin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)CNC(=O)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations