Geometry & MOs

Info

ID:	194032
PubChem CID:	78472058
Reduced:	N2O6H15C20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	322.240899
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.446726
Charge, e:	2

Chem-info

IUPAC name:

2-[bis(3-phenylprop-2-enyl)azaniumyl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)CC=C

DOS

IR

Vibrations