Geometry & MOs

Info

ID:	169438
PubChem CID:	75104472
Reduced:	NBr2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	414.349781
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	1.52
IP(EA), eV:	-8.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-5,10,14-trimethylpentadeca-1,3,7,13-tetraenyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C=CC2=CC(=C(C(=C2)Br)N)Br)OC

DOS

IR

Vibrations