Geometry & MOs

Info

ID:	340280
PubChem CID:	127262291
Reduced:	C13H19 (2)
Stoich.:	A13B19 (2)
Weight, g/mol:	336.220164
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	0.65
IP(EA), eV:	-8.02(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-methyl-4-(2-phenylmethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-cinnoline

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC2=C(CCC3=C2CCCC3)C4=C1CCCC4

DOS

IR

Vibrations