Geometry & MOs

Info

ID:	309658
PubChem CID:	126552464
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	3.5
IP(EA), eV:	-10.11(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hexan-2-yloxyethoxy)bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC(C=O)C(C)N1C(=O)C=CC1=O

DOS

IR

Vibrations