Geometry & MOs

Info

ID:	290960
PubChem CID:	111677723
Reduced:	FIO2N5C21H29 (1)
Stoich.:	ABC2D5E21F29 (1)
Weight, g/mol:	401.222703
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	4.1
IP(EA), eV:	-9.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC(=O)N(C)CCC1=CC=CC=N1)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations