Geometry & MOs

Info

ID:	438788
PubChem CID:	135228545
Reduced:	FN2O4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-157.0
Dipole, Da:	7.37
IP(EA), eV:	-9.44(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3E,5Z)-6-aminohepta-1,3,5-trien-3-yl]-6-tert-butyl-10-hydroxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(C=C4)F

DOS

IR

Vibrations