Geometry & MOs

Info

ID:	72275
PubChem CID:	48415995
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-69.51
Dipole, Da:	4.69
IP(EA), eV:	-8.65(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CN3CCCCCCC3=O

DOS

IR

Vibrations