Geometry & MOs

Info

ID:	329966
PubChem CID:	127246953
Reduced:	ON6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	52.37
Dipole, Da:	4.81
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations