Geometry & MOs

Info

ID:	71857
PubChem CID:	48415543
Reduced:	OSF3N3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	-139.97
Dipole, Da:	3.34
IP(EA), eV:	-8.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations