Geometry & MOs

Info

ID:	120891
PubChem CID:	50749135
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	369.124405
ΔH_f, kcal/mol:	74.44
Dipole, Da:	7.18
IP(EA), eV:	-9.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CC2=NN3C(=CC(=NC3=N2)C)C)C4=CC=CC=C4

DOS

IR

Vibrations