Geometry & MOs

Info

ID:	154999
PubChem CID:	56314562
Reduced:	BrO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-10.64
Dipole, Da:	5.59
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N'-(3-methoxybutanoyl)quinoline-4-carbohydrazide

Drug info:

PubChemData

Smile

CN(CC1=NC2=CC=CC=C2N1)C(=O)C3CCCN3C(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations