Geometry & MOs

Info

ID:	54303
PubChem CID:	16965367
Reduced:	BrON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	51.48
Dipole, Da:	1.75
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1CC(=C)Br)NC(=O)C3=CC=NC=C3

DOS

IR

Vibrations