Geometry & MOs

Info

ID:	2802
PubChem CID:	8586
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-123.7
Dipole, Da:	5.38
IP(EA), eV:	-9.53(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioate;dimethyl-(3-phenyl-3-pyridin-1-ium-2-ylpropyl)azanium

Drug info:

PubChemData

Smile

C[NH+](C)CCC(C1=CC=CC=C1)C2=CC=CC=[NH+]2.C(=CC(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations