Geometry & MOs

Info

ID:	209447
PubChem CID:	80673467
Reduced:	BrN2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	281.05276
ΔH_f, kcal/mol:	36.47
Dipole, Da:	3.05
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromopiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(C1)N(CCBr)CC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations