Geometry & MOs

Info

ID:	329980
PubChem CID:	127246967
Reduced:	FO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-60.58
Dipole, Da:	4.84
IP(EA), eV:	-9.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)COC3=CC(=CC=C3)F

DOS

IR

Vibrations