Geometry & MOs

Info

ID:	189593
PubChem CID:	77877316
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	4.67
IP(EA), eV:	-7.57(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;6-hexyl-4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

Drug info:

PubChemData

Smile

CCCCCCC1C2=C(C=C(N1)C)C3=C4C(C2)CNC4=CCC3.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations