Geometry & MOs

Info

ID:	128910
PubChem CID:	51063540
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	375.08735
ΔH_f, kcal/mol:	-155.71
Dipole, Da:	4.42
IP(EA), eV:	-8.81(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[3-(4-chlorophenyl)-3-oxopropyl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NCCC(=O)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations