Geometry & MOs

Info

ID:	211655
PubChem CID:	81049162
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-112.29
Dipole, Da:	8.88
IP(EA), eV:	-8.42(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CCOC1=NC(=CN=C1)N2CCCC(C2)C(C)CC(=O)O

DOS

IR

Vibrations