Geometry & MOs

Info

ID:	395845
PubChem CID:	135026684
Reduced:	NO2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	497.220223
ΔH_f, kcal/mol:	-201.66
Dipole, Da:	2.64
IP(EA), eV:	-9.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-[[2-(benzylamino)-6-oxocyclohexen-1-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

CC(CC1=CN(C(=O)N(C1=O)C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations