Geometry & MOs

Info

ID:	262906
PubChem CID:	103328943
Reduced:	SN6C13H16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	280.135782
ΔH_f, kcal/mol:	93.09
Dipole, Da:	4.61
IP(EA), eV:	-8.24(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=CSC2=N1)NC3=CN(N=C3)C

DOS

IR

Vibrations