Geometry & MOs

Info

ID:	367437
PubChem CID:	127324615
Reduced:	O3N6C18H28 (1)
Stoich.:	A3B6C18D28 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	1.84
IP(EA), eV:	-9.33(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-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)N3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations