Geometry & MOs

Info

ID:	120892
PubChem CID:	50749279
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-47.84
Dipole, Da:	8.8
IP(EA), eV:	-8.79(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-oxo-1H-quinolin-4-yl)methyl-propan-2-ylcarbamoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations