Geometry & MOs

Info

ID:	448968
PubChem CID:	135294877
Reduced:	FN3O3C27H30 (1)
Stoich.:	AB3C3D27E30 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-145.14
Dipole, Da:	9.47
IP(EA), eV:	-8.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-1-[5-[(E)-2-hydroxyprop-1-enyl]-3-methylpyridin-2-yl]-4-pyridin-2-ylbut-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CN(C3=C2N=CC(=C3)/C(=C(\C)/N)/C(=O)C)CC4(CCCCC4)F)C(=O)O

DOS

IR

Vibrations