Geometry & MOs

Info

ID:	425829
PubChem CID:	135128208
Reduced:	FOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	473.203151
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	2.65
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CC(=CC=C1CCO)F

DOS

IR

Vibrations