Geometry & MOs

Info

ID:	232198
PubChem CID:	87575688
Reduced:	BrClFN3H8C14 (1)
Stoich.:	ABCD3E8F14 (1)
Weight, g/mol:	484.391646
ΔH_f, kcal/mol:	31.87
Dipole, Da:	5.89
IP(EA), eV:	-9.28(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6E,8E,10E,12E,14E)-hexadeca-2,4,6,8,10,12,14-heptaen-1-ol;hexadecanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C2=NC=C(N2)C3=CN=C(C=C3)Br)F

DOS

IR

Vibrations