Geometry & MOs

Info

ID:	289098
PubChem CID:	104335589
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	-10.46
Dipole, Da:	4.03
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(cyclobutylmethyl)-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN(C1CC1)C2=CC(=NC(=N2)COCC)Cl

DOS

IR

Vibrations