Geometry & MOs

Info

ID:	329838
PubChem CID:	127246705
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	40.27
Dipole, Da:	6.47
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations