Geometry & MOs

Info

ID:	329941
PubChem CID:	127246928
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	20.9
Dipole, Da:	4.2
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-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)CC3=CC=CS3

DOS

IR

Vibrations