Geometry & MOs

Info

ID:	30966
PubChem CID:	854011
Reduced:	ClON3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	300.136159
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	2.2
IP(EA), eV:	-9.01(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOCC2)Cl

DOS

IR

Vibrations