Geometry & MOs

Info

ID:	377976
PubChem CID:	134224043
Reduced:	NO7C27H35 (1)
Stoich.:	AB7C27D35 (1)
Weight, g/mol:	457.210052
ΔH_f, kcal/mol:	-252.87
Dipole, Da:	13.56
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-9-(3-methoxycyclobutyl)oxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)OC4CC(C4)OC)C(C)(C)COC

DOS

IR

Vibrations