Geometry & MOs

Info

ID:	308644
PubChem CID:	126497241
Reduced:	SC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	292.168797
ΔH_f, kcal/mol:	31.12
Dipole, Da:	2.27
IP(EA), eV:	-8.01(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,11-dimethyl-8-prop-2-enyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

Drug info:

PubChemData

Smile

C/C=C\1/C2=CC=CC=C2SC1=C(C)C

DOS

IR

Vibrations