Geometry & MOs

Info

ID:	71984
PubChem CID:	48415685
Reduced:	FN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-63.51
Dipole, Da:	5.28
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,3-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(O3)COC4=CC=C(C=C4)F

DOS

IR

Vibrations