Geometry & MOs

Info

ID:	184431
PubChem CID:	77159692
Reduced:	N2F3O5C16H26 (1)
Stoich.:	A2B3C5D16E26 (1)
Weight, g/mol:	382.171556
ΔH_f, kcal/mol:	-394.07
Dipole, Da:	4.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756171
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methylpropan-2-yl)oxycarbonyl]-3a-(3,3,3-trifluoro-2-methylpropoxy)-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(F)(F)F)[N+]1(CCC2(C1CN(C2)C(=O)OC(C)(C)C)OC)C(=O)O

DOS

IR

Vibrations