Geometry & MOs

Info

ID:	69132
PubChem CID:	46519463
Reduced:	ClO2N5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	485.195071
ΔH_f, kcal/mol:	37.22
Dipole, Da:	8.23
IP(EA), eV:	-9.33(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C#N)COC(=O)C2=C(N(N=C2C)C)Cl)C3=CC=CC=C3

DOS

IR

Vibrations