Geometry & MOs

Info

ID:	377913
PubChem CID:	134223979
Reduced:	NC9H19 (1)
Stoich.:	AB9C19 (1)
Weight, g/mol:	485.241352
ΔH_f, kcal/mol:	-14.01
Dipole, Da:	1.97
IP(EA), eV:	-8.12(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-9-[[3-(butoxymethyl)oxetan-3-yl]methoxy]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C(C)C)N(C)C=C

DOS

IR

Vibrations