Geometry & MOs

Info

ID:	194252
PubChem CID:	78503660
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	517.11
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	6.86
IP(EA), eV:	-9.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC3=CC=CC=C3C#N

DOS

IR

Vibrations