Geometry & MOs

Info

ID:	291156
PubChem CID:	111678053
Reduced:	FIO3N4C21H28 (1)
Stoich.:	ABC3D4E21F28 (1)
Weight, g/mol:	402.206719
ΔH_f, kcal/mol:	-110.44
Dipole, Da:	2.02
IP(EA), eV:	-9.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCNC(=O)C1=CC(=CC=C1)OC)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations