Geometry & MOs

Info

ID:	184433
PubChem CID:	77159694
Reduced:	FN4O5C24H27 (1)
Stoich.:	AB4C5D24E27 (1)
Weight, g/mol:	482.04529
ΔH_f, kcal/mol:	-209.8
Dipole, Da:	3.31
IP(EA), eV:	-9.46(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(trifluoromethyl)phenyl]ethyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CO)NCC1CN2C3=C(O1)C(=CN=C3C(=C(C2=O)C(=O)NC)O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations