Geometry & MOs

Info

ID:	72040
PubChem CID:	48415744
Reduced:	O2F3N3H18C19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-180.8
Dipole, Da:	6.74
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations