Geometry & MOs

Info

ID:	315387
PubChem CID:	126625798
Reduced:	FOCl2N5C21H26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	185.095297
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	7.81
IP(EA), eV:	-9.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylpyridin-2-yl)methyl]pyrimidine

Drug info:

PubChemData

Smile

CC(C)CN=C(NC(CC(C1=CC=C(C=C1)Cl)N)N)NC(=O)C2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations