Geometry & MOs

Info

ID:	128912
PubChem CID:	51063542
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-172.3
Dipole, Da:	2.41
IP(EA), eV:	-8.97(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)CCNC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations