Geometry & MOs

Info

ID:	206474
PubChem CID:	80255619
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	228.158626
ΔH_f, kcal/mol:	-146.29
Dipole, Da:	3.08
IP(EA), eV:	-9.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-3-iminopropyl)-1-ethyl-3-(oxolan-3-yl)urea

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)OC)C(=O)NC2CCOC2

DOS

IR

Vibrations