Geometry & MOs

Info

ID:	438875
PubChem CID:	135228635
Reduced:	ON2C28H32 (1)
Stoich.:	AB2C28D32 (1)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	13.68
Dipole, Da:	5.64
IP(EA), eV:	-7.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[6-(cyclopropylmethylamino)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(=C)O)C(C)(C)C)C4=C(N=CC=C4)C

DOS

IR

Vibrations