Geometry & MOs

Info

ID:	72060
PubChem CID:	48415768
Reduced:	F2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-164.19
Dipole, Da:	0.95
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations