Geometry & MOs

Info

ID:	369027
PubChem CID:	127331133
Reduced:	O2F3N5C13H16 (1)
Stoich.:	A2B3C5D13E16 (1)
Weight, g/mol:	388.147073
ΔH_f, kcal/mol:	-201.17
Dipole, Da:	1.8
IP(EA), eV:	-9.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)C(=O)NC2CCN(C2=O)CC(F)(F)F

DOS

IR

Vibrations