Geometry & MOs

Info

ID:	320017
PubChem CID:	126657887
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	2.91
IP(EA), eV:	-9.0(0.58)
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]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CCCN1CC(C[C@H]2[C@H]1CCC(=O)C2)NC(=O)NC

DOS

IR

Vibrations