Geometry & MOs

Info

ID:	198851
PubChem CID:	79161947
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.167083
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	4.3
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,1-diethylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)N2CCCC2)C#CCCO

DOS

IR

Vibrations