Geometry & MOs

Info

ID:	325964
PubChem CID:	126685815
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	228.055322
ΔH_f, kcal/mol:	10.54
Dipole, Da:	3.41
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(3-ethoxy-4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)NC4=NC=CC(=N4)C

DOS

IR

Vibrations