Geometry & MOs

Info

ID:	304464
PubChem CID:	124752936
Reduced:	OS2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	3.09
IP(EA), eV:	-8.71(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-methyl-4-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)[C@@H](CNC(=O)CC2=C(SC(=N2)C)C)N(C)C

DOS

IR

Vibrations