Geometry & MOs

Info

ID:	354002
PubChem CID:	127285659
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	338.192961
ΔH_f, kcal/mol:	-144.58
Dipole, Da:	3.04
IP(EA), eV:	-8.82(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylmorpholin-2-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NC2CCOCC2

DOS

IR

Vibrations