Geometry & MOs

Info

ID:	206496
PubChem CID:	80260905
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	3.18
IP(EA), eV:	-9.79(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanoethyl)-3-cyclopentylurea

Drug info:

PubChemData

Smile

C1COCC1NC(=O)NCCCC#N

DOS

IR

Vibrations