Geometry & MOs

Info

ID:	143040
PubChem CID:	53137378
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	20.76
Dipole, Da:	7.8
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C(=NC=N3)N4CCCC4

DOS

IR

Vibrations