Geometry & MOs

Info

ID:	16525
PubChem CID:	472063
Reduced:	ON4C28H36 (1)
Stoich.:	AB4C28D36 (1)
Weight, g/mol:	444.288912
ΔH_f, kcal/mol:	27.78
Dipole, Da:	2.12
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-methylbutyl)-4-[5-[4-[N'-(3-methylbutyl)carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC(C)CCN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NCCC(C)C)N)N

DOS

IR

Vibrations