Geometry & MOs

Info

ID:	6519
PubChem CID:	68798
Reduced:	ON2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	454.236876
ΔH_f, kcal/mol:	48.18
Dipole, Da:	4.2
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-3-[2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC=CC2=CC=CC=C2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CO5

DOS

IR

Vibrations