Geometry & MOs

Info

ID:	72033
PubChem CID:	48415737
Reduced:	OF3N3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	-149.92
Dipole, Da:	6.18
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations