Geometry & MOs

Info

ID:	206498
PubChem CID:	80260907
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	3.92
IP(EA), eV:	-9.23(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-carbamothioylphenyl)-3-cyclopentylurea

Drug info:

PubChemData

Smile

CC(C)(C#N)N1CCN(CC1)C(=O)NC2CCOC2

DOS

IR

Vibrations