Geometry & MOs

Info

ID:

184399

PubChem CID:

77156021

Reduced:

O3N4C15H28 (1)

Stoich.:

A3B4C15D28 (1)

Weight, g/mol:

658.31735

ΔHf, kcal/mol:

-139.72

Dipole, Da:

4.28

IP(EA), eV:

 -9.48(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[2-[5-(4-chlorophenyl)-6-[2-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]-7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CC(C)C.C1=C(NC=N1)CC(C(=O)O)N

DOS

IR

Vibrations