Geometry & MOs

Info

ID:	162838
PubChem CID:	57571095
Reduced:	F2O3N5C24H33 (1)
Stoich.:	A2B3C5D24E33 (1)
Weight, g/mol:	436.192212
ΔH_f, kcal/mol:	-197.03
Dipole, Da:	5.26
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-[2-(2,5-difluorophenoxy)ethylamino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1CCN(CC1)C(=O)OC(C)(C)C)C2=NC=NC(=C2)NC3=CC(=C(C=C3F)OC)F

DOS

IR

Vibrations