Geometry & MOs

Info

ID:	171925
PubChem CID:	75441964
Reduced:	NOC8H13 (3)
Stoich.:	ABC8D13 (3)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	6.25
IP(EA), eV:	-8.28(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroxypropyl)-3-[3-(2-phenylethynyl)phenyl]urea

Drug info:

PubChemData

Smile

CCCN(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)OCCN3CC(OC(C3)C)C

DOS

IR

Vibrations