Geometry & MOs

Info

ID:	121853
PubChem CID:	50784150
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	462.226705
ΔH_f, kcal/mol:	-63.77
Dipole, Da:	8.06
IP(EA), eV:	-8.43(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(butanoylamino)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)C)C(=C2)C(=O)O

DOS

IR

Vibrations