Geometry & MOs

Info

ID:	192767
PubChem CID:	78309445
Reduced:	ON3C16H22 (2)
Stoich.:	AB3C16D22 (2)
Weight, g/mol:	454.283158
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	5.38
IP(EA), eV:	-8.73(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-cyclopentyl-N-[(6-oxo-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)(C)N1C(=NN=N1)C(C2CC3CCC(CC3NC2=O)C)N(CC4=CC=CC=C4)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations