Geometry & MOs

Info

ID:	320020
PubChem CID:	126657900
Reduced:	NO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	390.299476
ΔH_f, kcal/mol:	-142.45
Dipole, Da:	1.5
IP(EA), eV:	-8.87(0.11)
Spin(S_z, 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-ethyl-1-(2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

C1CC2(CC3C1N(CC(C3)C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5)OCCO2

DOS

IR

Vibrations