Geometry & MOs

Info

ID:	320036
PubChem CID:	126658047
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	406.330777
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	5.25
IP(EA), eV:	-9.1(-0.06)
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-[3-(diethylamino)propyl]-1-ethylurea

Drug info:

PubChemData

Smile

CCCN1C[C@H](C[C@H]2[C@H]1CC(=C)C(=O)C2)NC(=O)N(C)C3CC3

DOS

IR

Vibrations