Geometry & MOs

Info

ID:	162824
PubChem CID:	57571021
Reduced:	F2N3O4C23H29 (1)
Stoich.:	A2B3C4D23E29 (1)
Weight, g/mol:	470.07651
ΔH_f, kcal/mol:	-238.98
Dipole, Da:	3.4
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C(=C1)F)NC2=NC=CC(=C2)OC3CCN(CC3)C(=O)OC(C)C)F

DOS

IR

Vibrations