Geometry & MOs

Info

ID:	201638
PubChem CID:	79564823
Reduced:	N2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	3.47
Dipole, Da:	2.95
IP(EA), eV:	-8.53(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,5-dimethyl-4-nitrophenoxy)ethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CC(C(C1)N)CCN2CCCC3=CC=CC=C3C2

DOS

IR

Vibrations