Geometry & MOs

Info

ID:	291121
PubChem CID:	111677915
Reduced:	FIO2N4C21H28 (1)
Stoich.:	ABC2D4E21F28 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	6.49
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCC(=O)NCC1=CC=CC=C1)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations