Geometry & MOs

Info

ID:	206495
PubChem CID:	80259810
Reduced:	NO2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-207.89
Dipole, Da:	6.39
IP(EA), eV:	-10.2(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyanopropyl)-3-(oxolan-3-yl)urea

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(=O)NC(CC(=O)N)C(=O)O

DOS

IR

Vibrations