Geometry & MOs

Info

ID:	439098
PubChem CID:	135228861
Reduced:	ON3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	21.13
Dipole, Da:	10.83
IP(EA), eV:	-7.63(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1Z)-1-[amino(propan-2-yl)amino]buta-1,3-dienyl]-6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C2=CC3=C(C=C2C)C4=CC(=C)C(=CN4C(C3)C(C)C)C(=O)C

DOS

IR

Vibrations