Geometry & MOs

Info

ID:	363524
PubChem CID:	127311603
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	337.143784
ΔH_f, kcal/mol:	-0.59
Dipole, Da:	6.49
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCCC4=CN(N=C4)C

DOS

IR

Vibrations