Geometry & MOs

Info

ID:	120895
PubChem CID:	50749329
Reduced:	ClN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-131.3
Dipole, Da:	10.24
IP(EA), eV:	-8.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(6,8-dimethyl-2-oxo-1H-quinolin-4-yl)methyl-propylcarbamoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)CN(CC1=CC(=O)NC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

DOS

IR

Vibrations