Geometry & MOs

Info

ID:	16595
PubChem CID:	473534
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-136.18
Dipole, Da:	13.53
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-tert-butyl-7-(tert-butylamino)-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(C)(C)C)N

DOS

IR

Vibrations