Geometry & MOs

Info

ID:	5564
PubChem CID:	13337
Reduced:	NO5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	19.13
IP(EA), eV:	-8.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-[2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaenyloxy)ethyl]azanium;4-hydroxy-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

C[NH+](C)CCOC1CC2=CC=CC=C2CCC3=CC=CC=C13.C(=CC(=O)[O-])C(=O)O

DOS

IR

Vibrations