Geometry & MOs

Info

ID:	289097
PubChem CID:	104335525
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-34.24
Dipole, Da:	5.83
IP(EA), eV:	-9.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-cyclopropyl-2-(ethoxymethyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)NCC2=CC=CC=C2OC

DOS

IR

Vibrations