Geometry & MOs

Info

ID:	379730
PubChem CID:	134462490
Reduced:	ClNO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	313.114413
ΔH_f, kcal/mol:	-114.32
Dipole, Da:	4.39
IP(EA), eV:	-8.88(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[2-(1-aminoethenyl)-6-phosphanylphenyl]-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine

Drug info:

PubChemData

Smile

CCOCC(C[C@@H](CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)N)C(=O)OCC

DOS

IR

Vibrations