Geometry & MOs

Info

ID:	323467
PubChem CID:	126674906
Reduced:	F2O3N4H16C27 (1)
Stoich.:	A2B3C4D16E27 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-34.18
Dipole, Da:	5.14
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pyridin-4-ylpyrimidin-4-yl)oxycyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OC2=C(C=CC(=C2)NC(=O)NC3=CC(=C(C=C3)F)OC4=CC=C(C=C4)C#N)F

DOS

IR

Vibrations