Geometry & MOs

Info

ID:	233601
PubChem CID:	91145627
Reduced:	N2O5H24C27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	453.230705
ΔH_f, kcal/mol:	-126.88
Dipole, Da:	7.34
IP(EA), eV:	-9.2(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[1-(2-diethoxyphosphorylethyl)-3,3-dimethylindol-1-ium-2-yl]-N-phenylbut-3-en-1-imine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC2(CC2)C(=O)N)C3=CC(=C(C=C3)C(=O)C4=CC=CC=C4)NC(=O)C

DOS

IR

Vibrations