Geometry & MOs

Info

ID:	220405
PubChem CID:	85182426
Reduced:	NO4C29H51 (1)
Stoich.:	AB4C29D51 (1)
Weight, g/mol:	478.111126
ΔH_f, kcal/mol:	-241.89
Dipole, Da:	10.49
IP(EA), eV:	-8.41(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis[(2,5-dimethoxybenzoyl)oxy]butanedioic acid

Drug info:

PubChemData

Smile

CC[NH+](CC)CC.CC(=O)C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)CC(=O)[O-]

DOS

IR

Vibrations