Geometry & MOs

Info

ID:	147867
PubChem CID:	53787525
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	568.366493
ΔH_f, kcal/mol:	-4.21
Dipole, Da:	3.99
IP(EA), eV:	-8.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[6-[6-(4-butylphenyl)hexyl]pyridin-2-yl]ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CNCCN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=CC=CC=C43)CC5CCCO5

DOS

IR

Vibrations