Geometry & MOs

Info

ID:	84176
PubChem CID:	49864772
Reduced:	FN2O2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	370.119654
ΔH_f, kcal/mol:	-212.85
Dipole, Da:	7.36
IP(EA), eV:	-8.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN/C(=C/2\C(=O)C(=O)N(C(=N2)[C@@H]3C[C@@H](CN3C(=O)C)F)C)/O)F

DOS

IR

Vibrations