Geometry & MOs

Info

ID:	173865
PubChem CID:	75691314
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	322.166785
ΔH_f, kcal/mol:	-166.01
Dipole, Da:	1.52
IP(EA), eV:	-8.84(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(1H-imidazol-3-ium-3-yl)ethyl]-3-[phenyl(pyridin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)NCCCOCC2CCCO2

DOS

IR

Vibrations