Geometry & MOs

Info

ID:	438790
PubChem CID:	135228547
Reduced:	O2N3C30H35 (1)
Stoich.:	A2B3C30D35 (1)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	-32.47
Dipole, Da:	11.26
IP(EA), eV:	-8.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=O)O)C(C)(C)C)C4=CN=C(C=C4)NC5CCC5

DOS

IR

Vibrations