Geometry & MOs

Info

ID:	383053
PubChem CID:	134974555
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	256.219101
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	1.63
IP(EA), eV:	-9.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

C1CC1/C=C\2/[C@H](CN(C2=O)CC3=CC=CC=C3)O

DOS

IR

Vibrations