Geometry & MOs

Info

ID:	189674
PubChem CID:	77887651
Reduced:	O7C25H30 (1)
Stoich.:	A7B25C30 (1)
Weight, g/mol:	491.25081
ΔH_f, kcal/mol:	-226.73
Dipole, Da:	3.29
IP(EA), eV:	-8.39(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol

Drug info:

PubChemData

Smile

CCC(=O)CCCC(=O)OC1=C(C=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC

DOS

IR

Vibrations