Geometry & MOs

Info

ID:	230061
PubChem CID:	87569984
Reduced:	ClSiF4O5N8C30H33 (1)
Stoich.:	ABC4D5E8F30G33 (1)
Weight, g/mol:	232.005785
ΔH_f, kcal/mol:	-289.86
Dipole, Da:	12.45
IP(EA), eV:	-9.07(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dichloroethenyl)-2-ethoxyphenol

Drug info:

PubChemData

Smile

C[Si](C)(C)CCOCN1C=CC2=C(N=CN=C21)C3=CN(N=C3)[C@@H](CC#N)[C@H]4CCN(C4)C5=C(C=C(C(=N5)Cl)C(=O)O)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations