Geometry & MOs

Info

ID:	331972
PubChem CID:	127250258
Reduced:	OF3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	418.273262
ΔH_f, kcal/mol:	-121.15
Dipole, Da:	0.73
IP(EA), eV:	-8.38(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-[5-[(4-methylphenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CNC1=C(C=CC=N1)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations