Geometry & MOs

Info

ID:	368470
PubChem CID:	127328963
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-2.33
Dipole, Da:	10.7
IP(EA), eV:	-9.18(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)N(C)CC3CC3

DOS

IR

Vibrations