Geometry & MOs

Info

ID:	72232
PubChem CID:	48415951
Reduced:	FOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	4.44
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CSC3=CC=C(C=C3)F

DOS

IR

Vibrations