Geometry & MOs

Info

ID:	421302
PubChem CID:	135115749
Reduced:	NF3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-296.67
Dipole, Da:	6.01
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]-4-methylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)CC3=CC=CC=C3C(F)(F)F)OC[C@@H]1O)O

DOS

IR

Vibrations