Geometry & MOs

Info

ID:	290880
PubChem CID:	111396379
Reduced:	FON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	502.10526
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	2.38
IP(EA), eV:	-8.27(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCC1=CC(=CC=C1)F)NCC2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations