Geometry & MOs

Info

ID:	395846
PubChem CID:	135026687
Reduced:	NO5C31H31 (1)
Stoich.:	AB5C31D31 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	7.07
IP(EA), eV:	-8.69(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[2-(benzylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

C1CC(=C(C(=O)C1)CC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NCC4=CC=CC=C4

DOS

IR

Vibrations