Geometry & MOs

Info

ID:	369026
PubChem CID:	127331132
Reduced:	ON2C8H16 (2)
Stoich.:	AB2C8D16 (2)
Weight, g/mol:	331.125609
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	2.45
IP(EA), eV:	-8.44(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1-(pyrazin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCC2(CCCCCC2)O)C

DOS

IR

Vibrations