Geometry & MOs

Info

ID:	231566
PubChem CID:	87574143
Reduced:	BrO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	430.323566
ΔH_f, kcal/mol:	-98.65
Dipole, Da:	1.97
IP(EA), eV:	-10.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dihydropyren-2-yl)pentadecan-3-ol

Drug info:

PubChemData

Smile

C=C(COC(=O)C1CCCC2C(C1)O2)Br

DOS

IR

Vibrations