Geometry & MOs

Info

ID:	54304
PubChem CID:	16965456
Reduced:	ClO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	5.47
Dipole, Da:	3.17
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1CCCOC3=CC=C(C=C3)Cl)NC(=O)C4=CC=NC=C4

DOS

IR

Vibrations