Geometry & MOs

Info

ID:	325939
PubChem CID:	126685692
Reduced:	NO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	504.231397
ΔH_f, kcal/mol:	-215.52
Dipole, Da:	6.12
IP(EA), eV:	-8.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-[4-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)OC)C(=O)/C(=C/NCCO)/C(=O)OC

DOS

IR

Vibrations