Geometry & MOs

Info

ID:	262941
PubChem CID:	103330336
Reduced:	SN2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	252.104482
ΔH_f, kcal/mol:	21.98
Dipole, Da:	3.88
IP(EA), eV:	-8.11(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]butan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NC)NC(C)CSCC

DOS

IR

Vibrations