Geometry & MOs

Info

ID:	341750
PubChem CID:	127264443
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	403.146283
ΔH_f, kcal/mol:	-134.57
Dipole, Da:	11.25
IP(EA), eV:	-8.6(-0.44)
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-ethylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations