Geometry & MOs

Info

ID:	291141
PubChem CID:	111677967
Reduced:	FIO2N4C19H32 (1)
Stoich.:	ABC2D4E19F32 (1)
Weight, g/mol:	366.243104
ΔH_f, kcal/mol:	-126.05
Dipole, Da:	4.85
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCC.I

DOS

IR

Vibrations