Geometry & MOs

Info

ID:	367174
PubChem CID:	127323590
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	1.33
IP(EA), eV:	-8.42(-0.07)
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-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CC4=C(C=CC(=C4)OC)OC3

DOS

IR

Vibrations