Geometry & MOs

Info

ID:	262919
PubChem CID:	103329683
Reduced:	SN4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	306.151433
ΔH_f, kcal/mol:	8.03
Dipole, Da:	4.64
IP(EA), eV:	-8.32(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)NC2=C3C=CSC3=NC(=N2)N)C

DOS

IR

Vibrations