Geometry & MOs

Info

ID:	210862
PubChem CID:	80864316
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-0.72
Dipole, Da:	5.17
IP(EA), eV:	-8.69(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylphenoxy)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)OC2=CC(=C(C=C2)C)C)Cl

DOS

IR

Vibrations