Geometry & MOs

Info

ID:	228438
PubChem CID:	87564472
Reduced:	NO3F6H27C28 (1)
Stoich.:	AB3C6D27E28 (1)
Weight, g/mol:	176.054555
ΔH_f, kcal/mol:	-405.31
Dipole, Da:	8.45
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dicarbamoyl-1-methoxyurea

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OC)C2=C(C=C(C=C2)C(F)(F)F)CN(C(C)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations