Geometry & MOs

Info

ID:	425822
PubChem CID:	135128170
Reduced:	OSN8C19H20 (1)
Stoich.:	ABC8D19E20 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	93.14
Dipole, Da:	4.02
IP(EA), eV:	-8.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(2,6-dimethylpyridin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC(=NC3=C2SC=C3)NC4=CN(N=C4)C5=CN=CN=C5)O

DOS

IR

Vibrations