Geometry & MOs

Info

ID:	228583
PubChem CID:	87565349
Reduced:	ClO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	390.07712
ΔH_f, kcal/mol:	-59.83
Dipole, Da:	3.73
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-chloro-4-pyrimidin-2-yloxyphenoxy)naphthalen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1COC(CN1)C(CC2=NC=CC(=N2)Cl)CO

DOS

IR

Vibrations