Geometry & MOs

Info

ID:	198274
PubChem CID:	79079169
Reduced:	ClO2N3H8C11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	219.056325
ΔH_f, kcal/mol:	50.13
Dipole, Da:	4.2
IP(EA), eV:	-10.23(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methyl-6-(pyridin-4-ylmethyl)pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1[N+](=O)[O-])CC2=CC=NC=C2)Cl

DOS

IR

Vibrations