Geometry & MOs

Info

ID:	68798
PubChem CID:	46509115
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	9.56
Dipole, Da:	1.75
IP(EA), eV:	-8.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propylphthalazin-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations