Geometry & MOs

Info

ID:	59013
PubChem CID:	24770304
Reduced:	ON6C26H28 (1)
Stoich.:	AB6C26D28 (1)
Weight, g/mol:	252.01498
ΔH_f, kcal/mol:	63.06
Dipole, Da:	1.69
IP(EA), eV:	-8.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-bromo-1-(4-methylphenyl)penta-1,4-dien-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=CC5=C(C=C4)N=CN(C5=O)CCN6CCCC6

DOS

IR

Vibrations