Geometry & MOs

Info

ID:	318858
PubChem CID:	126653553
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	366.166746
ΔH_f, kcal/mol:	-10.4
Dipole, Da:	2.58
IP(EA), eV:	-9.33(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1[C@H]2CO[C@@]1(CN2)CC3=CC=CC=C3

DOS

IR

Vibrations