Geometry & MOs

Info

ID:	325943
PubChem CID:	126685706
Reduced:	N2C27H30 (1)
Stoich.:	A2B27C30 (1)
Weight, g/mol:	349.197902
ΔH_f, kcal/mol:	83.42
Dipole, Da:	3.46
IP(EA), eV:	-8.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

[1-[(1,1-dimethylphospholan-1-ium-3-yl)methyl]-1-ethenylphospholan-1-ium-3-yl]oxymethyl-trimethylphosphanium

Drug info:

PubChemData

Smile

CC/C=C\C=C\C1=C2C=CC3=C(C=C(N=C3C2=NC(=C1)C)C)C(C)/C=C\C=C/C

DOS

IR

Vibrations