Geometry & MOs

Info

ID:	291921
PubChem CID:	113797392
Reduced:	NC17H33 (1)
Stoich.:	AB17C33 (1)
Weight, g/mol:	266.120132
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	2.07
IP(EA), eV:	-8.78(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(C)NCC1CC(C=C(C1)C)C

DOS

IR

Vibrations