Geometry & MOs

Info

ID:	346025
PubChem CID:	127270389
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	382.240248
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	5.28
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpiperidin-3-yl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations