Geometry & MOs

Info

ID:	128749
PubChem CID:	51057072
Reduced:	BN2O2C33H33 (1)
Stoich.:	AB2C2D33E33 (1)
Weight, g/mol:	355.085432
ΔH_f, kcal/mol:	75.36
Dipole, Da:	16.42
IP(EA), eV:	-7.78(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-N-[4-(dimethylamino)butyl]-4-oxo-1H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=C[N+](=CC=C1)OC(=O)N(C)C

DOS

IR

Vibrations