Geometry & MOs

Info

ID:	341728
PubChem CID:	127264421
Reduced:	ClFO2N3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	403.146283
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	4.67
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN(CC1CC2=CC=CC=C2NC1=O)C(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations