Geometry & MOs

Info

ID:	198558
PubChem CID:	79118964
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	237.24565
ΔH_f, kcal/mol:	-42.56
Dipole, Da:	1.45
IP(EA), eV:	-8.0(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-(3-ethylcyclohexyl)azepane

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2(CCCCCN2)C3CC3

DOS

IR

Vibrations