Geometry & MOs

Info

ID:	438931
PubChem CID:	135228692
Reduced:	FC23H35 (1)
Stoich.:	AB23C35 (1)
Weight, g/mol:	477.187541
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	2.09
IP(EA), eV:	-9.34(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(C)CC(C)C2=C(C=CC=C2F)/C(=C/C)/C

DOS

IR

Vibrations