Geometry & MOs

Info

ID:	26822
PubChem CID:	798836
Reduced:	ClN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	345.136493
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	3.93
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(4-phenoxyanilino)prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

DOS

IR

Vibrations