Geometry & MOs

Info

ID:	287641
PubChem CID:	104249752
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	272.037085
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	1.1
IP(EA), eV:	-9.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-2-(oxan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CC(=O)C2=CC3=CC=CC=C3N=C2

DOS

IR

Vibrations