Geometry & MOs

Info

ID:	72266
PubChem CID:	48415986
Reduced:	SO2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	343.150761
ΔH_f, kcal/mol:	33.36
Dipole, Da:	7.45
IP(EA), eV:	-8.6(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCCC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations