Geometry & MOs

Info

ID:	69468
PubChem CID:	47186438
Reduced:	ClON3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	326.09938
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	5.25
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)ethyl]-3-(3,3-dimethylbutyl)urea

Drug info:

PubChemData

Smile

CCN(CC)C(C)CNC(=O)NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations