Geometry & MOs

Info

ID:	313063
PubChem CID:	126611547
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	570.253195
ΔH_f, kcal/mol:	-202.71
Dipole, Da:	2.92
IP(EA), eV:	-8.93(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z,3E)-3-[3-[6-(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]penta-1,3-dienyl]methanimine

Drug info:

PubChemData

Smile

CC(C[C@H](CC1=CC=C(C=C1)O)NC(=O)OC(C)(C)C)C(=O)N

DOS

IR

Vibrations