Geometry & MOs

Info

ID:	16111
PubChem CID:	459956
Reduced:	ON4C28H36 (1)
Stoich.:	AB4C28D36 (1)
Weight, g/mol:	444.288912
ΔH_f, kcal/mol:	30.77
Dipole, Da:	1.89
IP(EA), eV:	-8.83(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-pentan-3-yl-4-[5-[4-(N'-pentan-3-ylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CCC(CC)N=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NC(CC)CC)N)N

DOS

IR

Vibrations