Geometry & MOs

Info

ID:	377790
PubChem CID:	134223855
Reduced:	ClNO5C23H26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	441.215138
ΔH_f, kcal/mol:	-188.27
Dipole, Da:	13.51
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-10-methoxy-9-[[1-(methoxymethyl)cyclopropyl]methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCC4CC(C4)OC

DOS

IR

Vibrations