Geometry & MOs

Info

ID:	348327
PubChem CID:	127273392
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	314.154289
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	3.97
IP(EA), eV:	-9.53(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CCCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations