Geometry & MOs

Info

ID:	367424
PubChem CID:	127324586
Reduced:	ON6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	8.35
Dipole, Da:	2.06
IP(EA), eV:	-8.87(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCN4C=CC=C4C3C

DOS

IR

Vibrations