Geometry & MOs

Info

ID:	231949
PubChem CID:	87574978
Reduced:	FO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	291.269278
ΔH_f, kcal/mol:	-113.4
Dipole, Da:	2.88
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecan-2-ylazanium;chloride

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)O)F)C2=CC=CC(=C2)CC=O

DOS

IR

Vibrations