Geometry & MOs

Info

ID:	438784
PubChem CID:	135228541
Reduced:	FN2O4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-166.03
Dipole, Da:	10.61
IP(EA), eV:	-9.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3E,5Z)-6-amino-4-methylhepta-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

CC1=CC(=NC=C1C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC)F

DOS

IR

Vibrations