Geometry & MOs

Info

ID:	71871
PubChem CID:	48415559
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	-29.6
Dipole, Da:	5.02
IP(EA), eV:	-8.72(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations