Geometry & MOs

Info

ID:	356847
PubChem CID:	127292439
Reduced:	ON7C21H33 (1)
Stoich.:	AB7C21D33 (1)
Weight, g/mol:	394.240248
ΔH_f, kcal/mol:	10.2
Dipole, Da:	2.86
IP(EA), eV:	-8.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-prop-2-enylpiperidin-4-yl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NC(C3=NN=C4N3C=CC=C4)C(C)C

DOS

IR

Vibrations