Geometry & MOs

Info

ID:	353989
PubChem CID:	127285646
Reduced:	OSN4C17H28 (1)
Stoich.:	ABC4D17E28 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-26.92
Dipole, Da:	1.64
IP(EA), eV:	-8.85(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(cyclopropylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CCC(C1=NC(=CS1)C)NC(=O)NC2CCN(CC2)CC3CC3

DOS

IR

Vibrations