Geometry & MOs

Info

ID:	369897
PubChem CID:	127336734
Reduced:	O2S2N3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	269.210327
ΔH_f, kcal/mol:	-31.71
Dipole, Da:	5.88
IP(EA), eV:	-8.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-3-yl)-3-(1-propylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)NCC2=NC3=CC=CC=C3S2)C

DOS

IR

Vibrations