Geometry & MOs

Info

ID:	262937
PubChem CID:	103330037
Reduced:	SN4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	48.12
Dipole, Da:	4.46
IP(EA), eV:	-8.09(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)NC)NCC(C)C3CC3

DOS

IR

Vibrations