Geometry & MOs

Info

ID:	320320
PubChem CID:	126659509
Reduced:	NO2H14C15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	473.0362
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	9.05
IP(EA), eV:	-9.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]amino]-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]methanol

Drug info:

PubChemData

Smile

CC1=NOC(C1CC(=O)N2CC3=CC=CC=C3C2)C4=CC=C(C=C4)C5=CC=C(C=C5)C6(CC6)C(=O)O

DOS

IR

Vibrations