Geometry & MOs

Info

ID:	439156
PubChem CID:	135228921
Reduced:	FNC22H30 (1)
Stoich.:	ABC22D30 (1)
Weight, g/mol:	519.309707
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	2.58
IP(EA), eV:	-7.97(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[(Z,1Z)-1-[1-(cyclopropylmethylamino)butylimino]but-2-en-2-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CNC(C2=C1C=CC=C2F)CC(C)C3CCC(=C(C)C)CC3

DOS

IR

Vibrations