Geometry & MOs

Info

ID:	178670
PubChem CID:	76365689
Reduced:	BrON6C17H23 (1)
Stoich.:	ABC6D17E23 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	35.49
Dipole, Da:	1.95
IP(EA), eV:	-8.84(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-2,5-dioxo-6,8-dihydro-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1C(C(NN1)C(=O)NC2=NN(C=C2)CCC3=CC=NC=C3)Br

DOS

IR

Vibrations