Geometry & MOs

Info

ID:	341749
PubChem CID:	127264442
Reduced:	ClFO2N3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	-136.49
Dipole, Da:	7.78
IP(EA), eV:	-8.57(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-1-[(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl)methyl]-1-propylurea

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)CC(C(=O)N2)CN(CC(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl)C

DOS

IR

Vibrations