Geometry & MOs

Info

ID:	369798
PubChem CID:	127335749
Reduced:	BrO2N4C15H23 (1)
Stoich.:	AB2C4D15E23 (1)
Weight, g/mol:	360.198383
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	4.16
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,6-trimethyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)NC2CCN(CC2)CC3CCOC3)Br

DOS

IR

Vibrations