Geometry & MOs

Info

ID:	290967
PubChem CID:	111677731
Reduced:	IO2F4N4C19H21 (1)
Stoich.:	AB2C4D4E19F21 (1)
Weight, g/mol:	412.152239
ΔH_f, kcal/mol:	-197.58
Dipole, Da:	5.74
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations