Geometry & MOs

Info

ID:	291146
PubChem CID:	111678043
Reduced:	FIO2N4C23H30 (1)
Stoich.:	ABC2D4E23F30 (1)
Weight, g/mol:	412.227454
ΔH_f, kcal/mol:	-71.57
Dipole, Da:	6.5
IP(EA), eV:	-8.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC(=CC=C1)NC(=O)C2CCC2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations