Geometry & MOs

Info

ID:	326040
PubChem CID:	126686174
Reduced:	N4O5H24C25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	490.398187
ΔH_f, kcal/mol:	-123.43
Dipole, Da:	8.89
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-but-2-enedioate;(5-hydroxy-4-propyloctan-4-yl)azanium

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CNCC5=CN=CC=C5

DOS

IR

Vibrations