Geometry & MOs

Info

ID:	161041
PubChem CID:	57390600
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-13.14
Dipole, Da:	4.31
IP(EA), eV:	-8.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-(5-cyanopyridin-3-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C=CCOC[C@@H]1CC2=C([C@@H]3N1C(=O)CCC3)N(C4=CC=CC=C24)CC5=CC=CC=C5

DOS

IR

Vibrations