Geometry & MOs

Info

ID:	210033
PubChem CID:	80753405
Reduced:	OCl2N3C8H11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	261.043567
ΔH_f, kcal/mol:	-31.54
Dipole, Da:	1.45
IP(EA), eV:	-9.14(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3-chlorocyclobutyl)methyl]-2-methoxypyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CCl)NC1=NC(=NC=C1Cl)OC

DOS

IR

Vibrations