Geometry & MOs

Info

ID:	311095
PubChem CID:	126589362
Reduced:	FNSO3C19H22 (1)
Stoich.:	ABCD3E19F22 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	2.98
IP(EA), eV:	-8.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-cyclopropyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-1,3-dimethylurea

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2F)N(C(=S)OC)O)C

DOS

IR

Vibrations