Geometry & MOs

Info

ID:	291293
PubChem CID:	111978500
Reduced:	BrFON4C18H26 (1)
Stoich.:	ABCD4E18F26 (1)
Weight, g/mol:	439.331111
ΔH_f, kcal/mol:	-45.74
Dipole, Da:	1.95
IP(EA), eV:	-8.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)Br)F)N2CCC(C2)CN3CCOCC3

DOS

IR

Vibrations