Geometry & MOs

Info

ID:	331968
PubChem CID:	127250254
Reduced:	O2F3N4H21C23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	-160.76
Dipole, Da:	4.72
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazol-1-yl-1-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CN=C(C=C2)N)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations