Geometry & MOs

Info

ID:	399749
PubChem CID:	135042271
Reduced:	SN2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	30.32
Dipole, Da:	6.18
IP(EA), eV:	-8.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[10.2.2.01,10.04,9]hexadeca-7,15-dien-14-one

Drug info:

PubChemData

Smile

C1CC2CC3=CC=CC=C3NC(=S)N2C1

DOS

IR

Vibrations