Geometry & MOs

Info

ID:	139234
PubChem CID:	52495840
Reduced:	ON2F3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	427.269573
ΔH_f, kcal/mol:	-194.82
Dipole, Da:	2.65
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[[6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-(6-morpholin-4-ylpyridin-1-ium-3-yl)urea

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)C(=O)NC2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations