Geometry & MOs

Info

ID:	363227
PubChem CID:	127310368
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	325.124941
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	6.4
IP(EA), eV:	-8.96(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1CCCCC1NC(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations