Geometry & MOs

Info

ID:	398357
PubChem CID:	135032931
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	458.205301
ΔH_f, kcal/mol:	-72.41
Dipole, Da:	1.75
IP(EA), eV:	-7.77(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(9bR)-2-hydroxy-1,4-dioxo-3a,5-dihydrocyclopenta[c]quinolin-9b-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](N1N(C)C)CCC(=C)C(=O)OC

DOS

IR

Vibrations