Geometry & MOs

Info

ID:	209439
PubChem CID:	80673459
Reduced:	BrN3C14H24 (1)
Stoich.:	AB3C14D24 (1)
Weight, g/mol:	296.99353
ΔH_f, kcal/mol:	11.07
Dipole, Da:	4.1
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromopiperidin-1-yl)thieno[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CN(CCBr)C2CCCC2)C

DOS

IR

Vibrations