Geometry & MOs

Info

ID:	329961
PubChem CID:	127246948
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	16.47
Dipole, Da:	5.23
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations