Geometry & MOs

Info

ID:	31530
PubChem CID:	855830
Reduced:	ClOSN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	275.145619
ΔH_f, kcal/mol:	25.05
Dipole, Da:	3.37
IP(EA), eV:	-8.93(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)OC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations