Geometry & MOs

Info

ID:	162047
PubChem CID:	57393432
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	337.103811
ΔH_f, kcal/mol:	-75.91
Dipole, Da:	6.43
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-1-(cyanomethyl)-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N(C)C2CCN(CC2)C

DOS

IR

Vibrations