Geometry & MOs

Info

ID:	340331
PubChem CID:	127262342
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	324.05863
ΔH_f, kcal/mol:	35.37
Dipole, Da:	2.03
IP(EA), eV:	-9.04(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-(1-ethoxyethoxy)-2-(iodomethylidene)cycloheptane

Drug info:

PubChemData

Smile

C=CCNC\1CCCCC/C1=C\C2=CC=CC=C2

DOS

IR

Vibrations