Geometry & MOs

Info

ID:	331813
PubChem CID:	127250097
Reduced:	O2F3N4H21C23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	-159.2
Dipole, Da:	6.56
IP(EA), eV:	-9.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazol-1-yl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CN=C(C=C2)N)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations