Geometry & MOs

Info

ID:	299139
PubChem CID:	117672600
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	442.189257
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	6.04
IP(EA), eV:	-11.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 6-(4-nitrophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CCC1CC(=O)OC1=O

DOS

IR

Vibrations