Geometry & MOs

Info

ID:	354261
PubChem CID:	127286225
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-2.34
Dipole, Da:	7.32
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-morpholin-4-ylbutan-2-yl)-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)NC(=O)N2CCN3CCCCC3C2

DOS

IR

Vibrations