Geometry & MOs

Info

ID:	220543
PubChem CID:	85197730
Reduced:	INO4C9H14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	340.10379
ΔH_f, kcal/mol:	-176.26
Dipole, Da:	6.08
IP(EA), eV:	-10.23(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromoethoxy)tetracyclo[10.2.1.05,14.08,13]pentadecan-15-one

Drug info:

PubChemData

Smile

CCOC(=O)N1C(CC(OC1=O)C)CI

DOS

IR

Vibrations