Geometry & MOs

Info

ID:	132384
PubChem CID:	51354198
Reduced:	O3N7C28H31 (1)
Stoich.:	A3B7C28D31 (1)
Weight, g/mol:	505.232519
ΔH_f, kcal/mol:	-6.74
Dipole, Da:	3.72
IP(EA), eV:	-8.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[2-(2-aminoethoxy)ethoxy]-3-methoxyanilino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=C(C=C4)OC5CCOCC5)C#N

DOS

IR

Vibrations