Geometry & MOs

Info

ID:	48472
PubChem CID:	10586175
Reduced:	O2N3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	54.97
Dipole, Da:	2.22
IP(EA), eV:	-9.61(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyanobutyl)-3-hexyl-1-hydroxyurea

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)C#CC2=CC=CC=C2)OC

DOS

IR

Vibrations