Geometry & MOs

Info

ID:	284341
PubChem CID:	104045137
Reduced:	BrO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	311.165207
ΔH_f, kcal/mol:	-129.92
Dipole, Da:	1.28
IP(EA), eV:	-8.79(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-2-(2,6-dimethyloxan-4-yl)oxy-N-ethylethanamine

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC(CBr)C2=CC=C(C=C2)OC

DOS

IR

Vibrations