Geometry & MOs

Info

ID:	212798
PubChem CID:	81061865
Reduced:	ClN2O2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	1.63
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-cyclopropyl-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=C(C=C(C=N1)CO)Cl

DOS

IR

Vibrations