Geometry & MOs

Info

ID:	372601
PubChem CID:	131300637
Reduced:	O2N5H7C8 (1)
Stoich.:	A2B5C7D8 (1)
Weight, g/mol:	219.087098
ΔH_f, kcal/mol:	15.46
Dipole, Da:	3.39
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-methyl-2-(trifluoromethyl)furan-3-yl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)N2C(=C(NC2=O)N)C#N

DOS

IR

Vibrations