Geometry & MOs

Info

ID:	150015
PubChem CID:	53789699
Reduced:	O2N3C7H7 (1)
Stoich.:	A2B3C7D7 (1)
Weight, g/mol:	350.04765
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	6.12
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enoate

Drug info:

PubChemData

Smile

C1=C2NC(=CN2C(=O)N=C1)CO

DOS

IR

Vibrations