Geometry & MOs

Info

ID:	162819
PubChem CID:	57571013
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	505.250061
ΔH_f, kcal/mol:	-89.61
Dipole, Da:	2.51
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-[2,5-difluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)NC2=CC(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C

DOS

IR

Vibrations