Geometry & MOs

Info

ID:	354052
PubChem CID:	127285709
Reduced:	BrO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	311.257277
ΔH_f, kcal/mol:	-72.04
Dipole, Da:	3.12
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclohexylbutyl)-3-[(4-methylmorpholin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations