Geometry & MOs

Info

ID:	320028
PubChem CID:	126657989
Reduced:	NO3C14H26 (2)
Stoich.:	AB3C14D26 (2)
Weight, g/mol:	418.330777
ΔH_f, kcal/mol:	-314.97
Dipole, Da:	4.68
IP(EA), eV:	-9.39(0.43)
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-[2-(azepan-1-yl)ethyl]-1-ethylurea

Drug info:

PubChemData

Smile

CCCCOC(=O)C(C)(CC(C)C(C)(C)C(=O)NCCO)ON1C(CC(=O)C(C1(C)CC)C)(C)CC

DOS

IR

Vibrations