Geometry & MOs

Info

ID:	320035
PubChem CID:	126658042
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	1.79
IP(EA), eV:	-8.15(1.23)
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-cyclopropyl-1-methylurea

Drug info:

PubChemData

Smile

C/C=C(/C(C)C)\NC(=C)C(C)C

DOS

IR

Vibrations