Geometry & MOs

Info

ID:	210034
PubChem CID:	80753406
Reduced:	OCl2N3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	275.059217
ΔH_f, kcal/mol:	-20.57
Dipole, Da:	0.67
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=C(C(=N1)NCC2CC(C2)Cl)Cl

DOS

IR

Vibrations