Geometry & MOs

Info

ID:	378041
PubChem CID:	134224110
Reduced:	BrNO5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	417.178752
ΔH_f, kcal/mol:	-190.37
Dipole, Da:	16.15
IP(EA), eV:	-9.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(N3C2=C(C(=O)C(=C3)C(=O)O)Br)C(C)(C)C)C=C1OCCCOC

DOS

IR

Vibrations