Geometry & MOs

Info

ID:	72118
PubChem CID:	48415830
Reduced:	ClON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	56.91
Dipole, Da:	5.05
IP(EA), eV:	-9.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[3-(1H-benzimidazol-2-yl)propyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)Cl)C4=CC=CC=C4

DOS

IR

Vibrations