Geometry & MOs

Info

ID:	186163
PubChem CID:	77397273
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	444.197297
ΔH_f, kcal/mol:	-65.38
Dipole, Da:	3.24
IP(EA), eV:	-8.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclopropyl) 2-[6-(4-ethyl-2-fluoroanilino)-5-fluoropyrimidin-4-yl]oxy-7-azabicyclo[2.2.1]heptane-7-carboxylate

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C(=N1)NC2CCC(C2)CO)C3=CN=C(C=C3)OCC)C

DOS

IR

Vibrations