Geometry & MOs

Info

ID:	208029
PubChem CID:	80481863
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	44.68
Dipole, Da:	4.07
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CCN1C=CN=C1CC2=C(SC=C2)CN

DOS

IR

Vibrations