Geometry & MOs

Info

ID:	168487
PubChem CID:	74974846
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-127.45
Dipole, Da:	4.29
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[5-methyl-6-[1-(4-methylphenyl)ethylideneamino]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=NOCCOC1CCN(CC1)C(=O)OC(C)(C)C)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations