Geometry & MOs

Info

ID:	448366
PubChem CID:	135290416
Reduced:	O2N3C27H35 (1)
Stoich.:	A2B3C27D35 (1)
Weight, g/mol:	346.105253
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	4.97
IP(EA), eV:	-8.84(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxycarbonyl-2-methoxyphenyl) 4-hydroxy-3-methoxybenzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)N3CCC(CC3)N4CC5=CC=CC=C5C4

DOS

IR

Vibrations