Geometry & MOs

Info

ID:	311001
PubChem CID:	126588764
Reduced:	FNO2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-112.56
Dipole, Da:	5.72
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]-1,3-dimethylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations