Geometry & MOs

Info

ID:	209433
PubChem CID:	80672255
Reduced:	BrON2C14H27 (1)
Stoich.:	ABC2D14E27 (1)
Weight, g/mol:	311.00918
ΔH_f, kcal/mol:	-63.89
Dipole, Da:	2.21
IP(EA), eV:	-8.73(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCN2CCOCC2)CCBr

DOS

IR

Vibrations