Geometry & MOs

Info

ID:	320018
PubChem CID:	126657888
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	2.9
IP(EA), eV:	-9.0(-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-[2-(dimethylamino)ethyl]-1-propylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations