Geometry & MOs

Info

ID:	368414
PubChem CID:	127328339
Reduced:	FOSN3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-29.35
Dipole, Da:	3.77
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C=C(N2)C(=O)NC3(CCC3)C4=NC(=CS4)C)F

DOS

IR

Vibrations