Geometry & MOs

Info

ID:	327730
PubChem CID:	126690914
Reduced:	ClO2N4C7H7 (1)
Stoich.:	AB2C4D7E7 (1)
Weight, g/mol:	232.072703
ΔH_f, kcal/mol:	28.49
Dipole, Da:	2.61
IP(EA), eV:	-9.56(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino (2R)-2-[(2-chloro-1,2-dihydropyrimidin-6-yl)amino]butanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N=O)NC1=NC(=NC=C1)Cl

DOS

IR

Vibrations