Geometry & MOs

Info

ID:	255553
PubChem CID:	103132926
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-125.48
Dipole, Da:	4.17
IP(EA), eV:	-8.51(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC=C2OC)CNC(C)C

DOS

IR

Vibrations