Geometry & MOs

Info

ID:	189830
PubChem CID:	77910516
Reduced:	NO2C28H39 (1)
Stoich.:	AB2C28D39 (1)
Weight, g/mol:	483.284555
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	6.38
IP(EA), eV:	-8.14(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[8-[2-hydroxy-3-[methyl(methylcarbamoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCOC1=C(C=C(C=C1)NC(=O)C2CC2)CC=C)C)C)C

DOS

IR

Vibrations