Geometry & MOs

Info

ID:	341447
PubChem CID:	127264140
Reduced:	ClNC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	264.066555
ΔH_f, kcal/mol:	55.1
Dipole, Da:	0.96
IP(EA), eV:	-10.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methoxy-2-[(3-methoxyphenyl)methyl]pyrimidine

Drug info:

PubChemData

Smile

C=CCC1=C(N=C(N=C1Cl)C2CC2)Cl

DOS

IR

Vibrations