Geometry & MOs

Info

ID:	138694
PubChem CID:	52410440
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	413.147452
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	7.72
IP(EA), eV:	-8.93(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C

DOS

IR

Vibrations