Geometry & MOs

Info

ID:	255599
PubChem CID:	103133275
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-89.57
Dipole, Da:	1.97
IP(EA), eV:	-8.51(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCNC1CCCC2=C1C=CC=C2OCC3CCC(O3)C

DOS

IR

Vibrations