Geometry & MOs

Info

ID:	204543
PubChem CID:	79979391
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	0.92
IP(EA), eV:	-8.99(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(4-cyclopropylphenyl)-6-propylpyrimidine

Drug info:

PubChemData

Smile

COCCNCC1=CC=C(C=C1)C2CC2

DOS

IR

Vibrations