Geometry & MOs

Info

ID:	387194
PubChem CID:	134984359
Reduced:	INPO3C31H31 (1)
Stoich.:	ABCD3E31F31 (1)
Weight, g/mol:	395.192863
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	7.02
IP(EA), eV:	-7.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-ethyl-3-methyl-2,2-diphenyl-3,4-dihydro-1H-benzo[h]isophosphinolin-2-ium

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@@H](CP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)I)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations