Geometry & MOs

Info

ID:	369929
PubChem CID:	127336790
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-99.81
Dipole, Da:	6.72
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)NC2CCN(C2=O)CC3=CC=CC=C3)C

DOS

IR

Vibrations