Geometry & MOs

Info

ID:	425821
PubChem CID:	135128165
Reduced:	OSN7C20H21 (1)
Stoich.:	ABC7D20E21 (1)
Weight, g/mol:	408.148078
ΔH_f, kcal/mol:	79.5
Dipole, Da:	1.53
IP(EA), eV:	-8.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC(=NC3=C2SC=C3)NC4=CN(N=C4)C5=CC=CC=N5)O

DOS

IR

Vibrations