Geometry & MOs

Info

ID:	128911
PubChem CID:	51063541
Reduced:	ClNO5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-165.43
Dipole, Da:	2.15
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations