Geometry & MOs

Info

ID:	187541
PubChem CID:	77587832
Reduced:	SO4N5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	420.19844
ΔH_f, kcal/mol:	-65.55
Dipole, Da:	5.64
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carbamimidoyl-[3-(4-methoxyphenyl)propyl]amino]pentanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN1CCOCC1.C1=CC(=CC=C1C2C(C(NC(=S)C2C#N)N)C#N)OCC(=O)O

DOS

IR

Vibrations