Geometry & MOs

Info

ID:	262830
PubChem CID:	103321415
Reduced:	ClOSN3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	297.070261
ΔH_f, kcal/mol:	-16.16
Dipole, Da:	5.82
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)Cl)NC3CCCC3OC

DOS

IR

Vibrations