Geometry & MOs

Info

ID:	191038
PubChem CID:	78098357
Reduced:	BrN3O4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	549.135032
ΔH_f, kcal/mol:	-164.95
Dipole, Da:	6.13
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(cyclopenten-1-yl)-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)O)NC(=O)NC1=CC=C(C=C1)Br

DOS

IR

Vibrations