Geometry & MOs

Info

ID:	438744
PubChem CID:	135228497
Reduced:	O2N5C34H51 (1)
Stoich.:	A2B5C34D51 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-62.87
Dipole, Da:	10.63
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations