Geometry & MOs

Info

ID:	425825
PubChem CID:	135128188
Reduced:	N5H17C20 (1)
Stoich.:	A5B17C20 (1)
Weight, g/mol:	375.118753
ΔH_f, kcal/mol:	111.54
Dipole, Da:	6.37
IP(EA), eV:	-8.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2)C3=CC=C(C=C3)N)C4=CN=CC=C4

DOS

IR

Vibrations