Geometry & MOs

Info

ID:	145987
PubChem CID:	53621239
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	344.134777
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	2.79
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CCNC1=NN=C2CCN(CC2=C1)C(=O)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations