Geometry & MOs

Info

ID:	192772
PubChem CID:	78310510
Reduced:	FN4O4C25H37 (1)
Stoich.:	AB4C4D25E37 (1)
Weight, g/mol:	491.124798
ΔH_f, kcal/mol:	-221.86
Dipole, Da:	9.27
IP(EA), eV:	-8.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-oxo-7H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea

Drug info:

PubChemData

Smile

COC1CCC2C(C1)CC(C(=O)N2)CN(CCCN3CCOCC3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations