Geometry & MOs

Info

ID:	439133
PubChem CID:	135228898
Reduced:	NC21H35 (1)
Stoich.:	AB21C35 (1)
Weight, g/mol:	488.242356
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	2.46
IP(EA), eV:	-8.52(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-2-oxo-9-(6-piperazin-1-ylpyridin-3-yl)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=C(/C=C\C=C)\C(C)CCC1CCN(CC1)C)/C

DOS

IR

Vibrations