Geometry & MOs

Info

ID:	438789
PubChem CID:	135228546
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	469.272927
ΔH_f, kcal/mol:	-123.06
Dipole, Da:	16.32
IP(EA), eV:	-8.52(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[6-(cyclobutylamino)pyridin-3-yl]-10-ethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C/C=C(\C=C)/C1=C(C=C2C(=C1)CC(N3C2=CC(=O)C(=C3)C(=O)O)C(C)(C)C)O)/N

DOS

IR

Vibrations