Geometry & MOs

Info

ID:	120897
PubChem CID:	50749433
Reduced:	F2O2N3H15C18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	355.108754
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	1.18
IP(EA), eV:	-9.18(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-methylphenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CN(CC1=CC(=O)NC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations