Geometry & MOs

Info

ID:	345574
PubChem CID:	127269874
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	322.16166
ΔH_f, kcal/mol:	-134.09
Dipole, Da:	6.6
IP(EA), eV:	-9.13(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)C(=O)NC3CCCC4=C3C=CO4

DOS

IR

Vibrations