Geometry & MOs

Info

ID:	399858
PubChem CID:	135043218
Reduced:	NC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	64.56
Dipole, Da:	3.43
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,8E,10E)-12-hydroxyheptadeca-5,8,10-trienoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=C3C=CC=CC3=N2)C

DOS

IR

Vibrations