Geometry & MOs

Info

ID:	332472
PubChem CID:	127250758
Reduced:	F2O2N5C21H23 (1)
Stoich.:	A2B2C5D21E23 (1)
Weight, g/mol:	447.18821
ΔH_f, kcal/mol:	-84.17
Dipole, Da:	2.68
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-dimethylpyrimidin-2-yl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations