Geometry & MOs

Info

ID:	348748
PubChem CID:	127273859
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	41.63
Dipole, Da:	4.06
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxybenzoyl)-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=NN2CC(CCC2=N1)NC(=O)CN(C)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations