Geometry & MOs

Info

ID:	227605
PubChem CID:	87562074
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	302.083859
ΔH_f, kcal/mol:	-24.56
Dipole, Da:	8.18
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[(Z)-3-diethoxyphosphorylbut-2-enyl]benzene

Drug info:

PubChemData

Smile

C1CN1.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N

DOS

IR

Vibrations