Geometry & MOs

Info

ID:	361427
PubChem CID:	127303341
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	21.94
Dipole, Da:	4.06
IP(EA), eV:	-8.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCC(CC2)CNC3=C4C5=C(CCC5)SC4=NC=N3)C

DOS

IR

Vibrations