Geometry & MOs

Info

ID:	311564
PubChem CID:	126593832
Reduced:	O2N3H11C19 (3)
Stoich.:	A2B3C11D19 (3)
Weight, g/mol:	499.13824
ΔH_f, kcal/mol:	176.46
Dipole, Da:	0.9
IP(EA), eV:	-8.66(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-chloro-(3-phenylinden-1-ylidene)methyl]-triphenylphosphanium

Drug info:

Smile

C=CC(=O)OC1=CC=C(C=C1)N2C3=C4C(=C5C(=C3N=C2C6=CC=C(C=C6)C#N)N(C(=N5)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)OC(=O)C=C)N(C(=N4)C9=CC=C(C=C9)C#N)C1=CC=C(C=C1)OC(=O)C=C

DOS

IR

Vibrations