Geometry & MOs

Info

ID:	354257
PubChem CID:	127286221
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	6.91
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-[3-(cyclohexyloxymethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations