Geometry & MOs

Info

ID:	393085
PubChem CID:	135019311
Reduced:	PN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	424.188583
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	4.23
IP(EA), eV:	-7.63(0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(1-azido-2-phenyl-2-piperidin-1-ium-1-ylideneethyl)-2-oxo-1H-indol-3-yl]propanedinitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(N)P(=C)(C(C2=CC=C(C=C2)OC)N)O

DOS

IR

Vibrations