Geometry & MOs

Info

ID:	57794
PubChem CID:	24277392
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	207.100777
ΔH_f, kcal/mol:	-27.65
Dipole, Da:	6.64
IP(EA), eV:	-9.19(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC(=CC(=N2)C(=O)O)C3=CC=CS3

DOS

IR

Vibrations