Geometry & MOs

Info

ID:	360731
PubChem CID:	127301376
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	384.17731
ΔH_f, kcal/mol:	-62.87
Dipole, Da:	3.66
IP(EA), eV:	-9.06(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCC(CC2)NC(=O)NC3CCCCC3

DOS

IR

Vibrations