Geometry & MOs

Info

ID:	343105
PubChem CID:	127266278
Reduced:	F3N4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-125.9
Dipole, Da:	6.31
IP(EA), eV:	-9.54(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[(5-methoxypyridin-3-yl)methylamino]pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNCC2=C(N=C3N2CCCC3)C(F)(F)F

DOS

IR

Vibrations