Geometry & MOs

Info

ID:	333641
PubChem CID:	127252193
Reduced:	O2F3N4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	446.192961
ΔH_f, kcal/mol:	-147.82
Dipole, Da:	4.33
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-(pyridin-4-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC=NC=C3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations