Geometry & MOs

Info

ID:	291133
PubChem CID:	111677933
Reduced:	FION4C19H34 (1)
Stoich.:	ABCD4E19F34 (1)
Weight, g/mol:	414.243104
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	4.15
IP(EA), eV:	-8.62(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-[[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CCCCNC(=NC)NCC(C)OC1=CC=C(C=C1)F.I

DOS

IR

Vibrations