Geometry & MOs

Info

ID:	264238
PubChem CID:	103445211
Reduced:	ClO2N3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	248.082874
ΔH_f, kcal/mol:	-20.56
Dipole, Da:	4.93
IP(EA), eV:	-9.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloropyridin-2-yl)-4,6-dimethylpyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=NC=C(N2)C(=O)O)Cl

DOS

IR

Vibrations