Geometry & MOs

Info

ID:	26840
PubChem CID:	799455
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	299.107692
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	2.71
IP(EA), eV:	-8.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chloro-5-methylanilino)-1-(4-methylphenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCCC1=NC=C(N1C)[C@H](C2=C(C(=CC=C2)OC)OC)O

DOS

IR

Vibrations