Geometry & MOs

Info

ID:	329987
PubChem CID:	127246974
Reduced:	FON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-35.77
Dipole, Da:	5.64
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CCC3=CC=CC=C3F

DOS

IR

Vibrations