Geometry & MOs

Info

ID:	309856
PubChem CID:	126562486
Reduced:	N2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	231.033003
ΔH_f, kcal/mol:	84.33
Dipole, Da:	2.47
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-[(1-methylazetidin-3-yl)methyl]pyrimidine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC2=NC=CN=C2C3=CC=C(C=C3)N

DOS

IR

Vibrations