Geometry & MOs

Info

ID:	351569
PubChem CID:	127280461
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	6.49
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[3-oxo-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propyl]benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations