Geometry & MOs

Info

ID:	264284
PubChem CID:	103450438
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	340.03241
ΔH_f, kcal/mol:	-27.57
Dipole, Da:	3.19
IP(EA), eV:	-8.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohepten-1-yl)-2-(4-iodophenyl)ethanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)OC)C(=O)C2=CCCCCC2

DOS

IR

Vibrations