Geometry & MOs

Info

ID:	320016
PubChem CID:	126657882
Reduced:	O3N4C23H40 (1)
Stoich.:	A3B4C23D40 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-135.62
Dipole, Da:	4.54
IP(EA), eV:	-8.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aR,8aR)-6-oxo-1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-3-yl]-3-methylurea

Drug info:

PubChemData

Smile

CCCN1C[C@H](C[C@H]2[C@H]1CC(=C)C(=O)C2)NC(=O)N(CC)CCN3CCCOCC3

DOS

IR

Vibrations