Geometry & MOs

Info

ID:	419191
PubChem CID:	135107692
Reduced:	ClON4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	5.3
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propylamino]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations