Geometry & MOs

Info

ID:	311092
PubChem CID:	126589345
Reduced:	NO2C17H33 (1)
Stoich.:	AB2C17D33 (1)
Weight, g/mol:	404.10994
ΔH_f, kcal/mol:	-145.83
Dipole, Da:	2.93
IP(EA), eV:	-9.34(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CCCCN(C)C(=O)C)C(=O)C(C)(CC)CC

DOS

IR

Vibrations