Geometry & MOs

Info

ID:	340921
PubChem CID:	127263356
Reduced:	FN2Cl3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	229.061804
ΔH_f, kcal/mol:	-82.8
Dipole, Da:	1.59
IP(EA), eV:	-9.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(azetidin-3-yl)pyrimidine-5-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)CNN.Cl.Cl

DOS

IR

Vibrations