Geometry & MOs

Info

ID:	364551
PubChem CID:	127315803
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-14.37
Dipole, Da:	5.96
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Drug info:

PubChemData

Smile

CC1CCCCN1C2=C(C(=O)N(N=C2)C)Br

DOS

IR

Vibrations