Geometry & MOs

Info

ID:	146242
PubChem CID:	53658982
Reduced:	NOC24H45 (1)
Stoich.:	ABC24D45 (1)
Weight, g/mol:	395.111735
ΔH_f, kcal/mol:	-122.78
Dipole, Da:	4.35
IP(EA), eV:	-9.22(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoyl]oxy-8-hydroxyquinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)N1CCC(CC1)C

DOS

IR

Vibrations