Geometry & MOs

Info

ID:	438755
PubChem CID:	135228509
Reduced:	NO2C22H25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-47.02
Dipole, Da:	9.22
IP(EA), eV:	-8.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-(N'-methanimidoylcarbamimidoyl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CC2=C(C=C1)C3=CC(=C)C(=CN3C(C2)C(C)(C)C)C(=O)O

DOS

IR

Vibrations