Geometry & MOs

Info

ID:	128336
PubChem CID:	51040203
Reduced:	ClN9C29H34 (1)
Stoich.:	AB9C29D34 (1)
Weight, g/mol:	308.102414
ΔH_f, kcal/mol:	102.23
Dipole, Da:	7.03
IP(EA), eV:	-8.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,4,5-trifluorophenyl)nona-2,4,6,8-tetraenoic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC(=NC(=N2)N3CCCCC3)NC4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)Cl

DOS

IR

Vibrations