Geometry & MOs

Info

ID:	329826
PubChem CID:	127246693
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	10.1
Dipole, Da:	6.35
IP(EA), eV:	-8.62(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-1-yl)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CC3=CC=CS3

DOS

IR

Vibrations