Geometry & MOs

Info

ID:	80612
PubChem CID:	49835498
Reduced:	NO5C27H39 (1)
Stoich.:	AB5C27D39 (1)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-231.13
Dipole, Da:	5.26
IP(EA), eV:	-9.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-tert-butyl-5-methoxy-8-(2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1CC2CC(CC(C1)C2OC(=O)N3CCC(CC3)(COCC(=O)OC)C4=CC=CC=C4)C

DOS

IR

Vibrations