Geometry & MOs

Info

ID:	56543
PubChem CID:	17436213
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	363.172896
ΔH_f, kcal/mol:	9.33
Dipole, Da:	6.51
IP(EA), eV:	-8.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)C)C

DOS

IR

Vibrations