Geometry & MOs

Info

ID:	291491
PubChem CID:	112827153
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	326.09938
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	5.1
IP(EA), eV:	-9.08(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-bromophenyl)ethyl]-1-ethyl-1-(2-methylpropyl)urea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C3=C(N(N=C3)CC4=CC=CC=C4)C

DOS

IR

Vibrations