Geometry & MOs

Info

ID:	185437
PubChem CID:	77300147
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	498.0402
ΔH_f, kcal/mol:	-112.52
Dipole, Da:	2.55
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(4-bromo-2-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid

Drug info:

PubChemData

Smile

CCCNC1=NC2C(O1)CC(C(C2OCC3=CC=CC=C3)O)COCC4=CC=CC=C4

DOS

IR

Vibrations