Geometry & MOs

Info

ID:	16605
PubChem CID:	473612
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	2.07
IP(EA), eV:	-8.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[5-[4-[1-(3-hydroxypropyl)-4,5-dihydroimidazol-2-yl]phenyl]furan-2-yl]phenyl]-4,5-dihydroimidazol-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1CN(C(=N1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C5=NCCN5CCCO)CCCO

DOS

IR

Vibrations