Geometry & MOs

Info

ID:	71876
PubChem CID:	48415566
Reduced:	OSN5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	405.196489
ΔH_f, kcal/mol:	61.33
Dipole, Da:	6.38
IP(EA), eV:	-8.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CNC(=S)N3C4=CC=CC=C4

DOS

IR

Vibrations