Geometry & MOs

Info

ID:	439153
PubChem CID:	135228918
Reduced:	O2N3C28H35 (1)
Stoich.:	A2B3C28D35 (1)
Weight, g/mol:	474.226705
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	3.83
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[2-(cyclopropylmethylamino)pyrimidin-5-yl]-10-methoxy-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(=C)C)/C2=C1)C(C)(C)C)C3=CN=C(N=C3)OC

DOS

IR

Vibrations