Geometry & MOs

Info

ID:	368474
PubChem CID:	127329044
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-19.35
Dipole, Da:	6.26
IP(EA), eV:	-8.9(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-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

CC1CN2CCCC2CN1C(=O)NCC3CCC4=NN=C(N4C3)C

DOS

IR

Vibrations