Geometry & MOs

Info

ID:	291010
PubChem CID:	111677783
Reduced:	FIO2N5C21H29 (1)
Stoich.:	ABC2D5E21F29 (1)
Weight, g/mol:	401.222703
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	1.95
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[N-ethyl-N'-[2-(4-fluorophenoxy)propyl]carbamimidoyl]amino]-N-(6-methylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCC(=O)NC2=CC=CC(=N2)C.I

DOS

IR

Vibrations