Geometry & MOs

Info

ID:	309078
PubChem CID:	126536352
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	220.017018
ΔH_f, kcal/mol:	42.89
Dipole, Da:	7.26
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-methoxy-6-propylpyrimidine

Drug info:

PubChemData

Smile

CCCN[C@@H](C)CNC1=NC(=CC2=CC=CC=C21)C3=NC(=O)NN3

DOS

IR

Vibrations