Geometry & MOs

Info

ID:	224792
PubChem CID:	85355305
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	453.117491
ΔH_f, kcal/mol:	-174.65
Dipole, Da:	3.1
IP(EA), eV:	-9.17(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(4-fluorophenyl)morpholin-2-yl]oxyethanol

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)NC(C)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations