Geometry & MOs

Info

ID:	348326
PubChem CID:	127273391
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	4.26
IP(EA), eV:	-9.18(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-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)C3=CC(=CC=C3)NC(=O)C4CCCO4

DOS

IR

Vibrations