Geometry & MOs

Info

ID:	348376
PubChem CID:	127273441
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-9.6
Dipole, Da:	1.93
IP(EA), eV:	-9.38(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCCCC2)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations