Geometry & MOs

Info

ID:	367454
PubChem CID:	127324679
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	373.191403
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	2.63
IP(EA), eV:	-8.66(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(3-fluorophenyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCC(CC3)OC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations