Geometry & MOs

Info

ID:	198272
PubChem CID:	79079167
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	223.031253
ΔH_f, kcal/mol:	25.45
Dipole, Da:	4.54
IP(EA), eV:	-8.27(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine

Drug info:

PubChemData

Smile

CNC(=O)CN1C=C(C=N1)NC2CCCC3=C2N=CC=C3

DOS

IR

Vibrations