Geometry & MOs

Info

ID:	358413
PubChem CID:	127295958
Reduced:	OSF2N5C13H19 (1)
Stoich.:	ABC2D5E13F19 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-107.02
Dipole, Da:	10.02
IP(EA), eV:	-9.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3=NN=C(S3)C(F)F

DOS

IR

Vibrations