Geometry & MOs

Info

ID:	439151
PubChem CID:	135228916
Reduced:	SN3O3C25H29 (1)
Stoich.:	AB3C3D25E29 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-80.14
Dipole, Da:	9.01
IP(EA), eV:	-8.99(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-9-(2-methoxypyrimidin-5-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N/C(=C\C(=O)/C(=C\C)/C(=O)O)/C2=C1)C(C)(C)C)C3=CNC(=S)N=C3

DOS

IR

Vibrations