Geometry & MOs

Info

ID:	180164
PubChem CID:	76587665
Reduced:	OC4H8 (3)
Stoich.:	AB4C8 (3)
Weight, g/mol:	382.08921
ΔH_f, kcal/mol:	-182.3
Dipole, Da:	3.82
IP(EA), eV:	-10.15(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-(1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)C1CC(OC(C1)(C)CO)(C)CO

DOS

IR

Vibrations