Geometry & MOs

Info

ID:	178880
PubChem CID:	76395434
Reduced:	N3O4H13C17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	416.147118
ΔH_f, kcal/mol:	-58.27
Dipole, Da:	8.75
IP(EA), eV:	-8.82(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis[(3,4-dimethoxyphenyl)methyl]but-2-enedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CNNC(=O)C2=CC3=C(N2)C(=CC=C3)C(=O)O)C(=O)C=C1

DOS

IR

Vibrations