Geometry & MOs

Info

ID:

320012

PubChem CID:

126657862

Reduced:

O2N4C45H52 (1)

Stoich.:

A2B4C45D52 (1)

Weight, g/mol:

392.315127

ΔHf, kcal/mol:

9.62

Dipole, Da:

4.16

IP(EA), eV:

 -8.2(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3S,4aR,8aR)-7-methylidene-6-oxo-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-3-yl]-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)urea

Drug info:

PubChemData

Smile

CC(C(=O)OCC1(C2=CC=C(N2)C(C3=CC=C(N3)C(C4=CC=C(N4)C(C5=CC=C1N5)(C)C)(C)C)(C)C)C)C(C)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations