Geometry & MOs

Info

ID:	390716
PubChem CID:	135000532
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	1.28
IP(EA), eV:	-8.27(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-methoxyanilino)-2-(2-oxocyclohexyl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(CC3=CC=CC=C3N2C)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations