Geometry & MOs

Info

ID:	51082
PubChem CID:	12013705
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	3.16
IP(EA), eV:	-9.04(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-benzyl-6-hydroxy-6-methyl-9-oxo-3-azabicyclo[3.3.1]nonane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC2(CN(CC1C2=O)CC3=CC=CC=C3)C(=O)OC)O

DOS

IR

Vibrations