Geometry & MOs

Info

ID:	296476
PubChem CID:	117577101
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-64.18
Dipole, Da:	9.17
IP(EA), eV:	-9.15(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)N2CCCC2CC(=O)O

DOS

IR

Vibrations