Geometry & MOs

Info

ID:	367456
PubChem CID:	127324696
Reduced:	F2O2N5C19H23 (1)
Stoich.:	A2B2C5D19E23 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-121.51
Dipole, Da:	2.69
IP(EA), eV:	-9.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-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)N3CCOC(C3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations