Geometry & MOs

Info

ID:	333765
PubChem CID:	127252317
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	448.183458
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	4.18
IP(EA), eV:	-8.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholin-4-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC3=C(C=C2)NC=C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations