Geometry & MOs

Info

ID:	210107
PubChem CID:	80763590
Reduced:	ClF3N4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	-112.37
Dipole, Da:	3.11
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azocan-1-yl)-N-ethyl-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC2=C(C=CC(=C2)C(F)(F)F)Cl)N

DOS

IR

Vibrations