Geometry & MOs

Info

ID:	262841
PubChem CID:	103322106
Reduced:	ClSN4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	313.101561
ΔH_f, kcal/mol:	42.31
Dipole, Da:	5.26
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C3=C4C=C(SC4=NC(=N3)Cl)C

DOS

IR

Vibrations