Geometry & MOs

Info

ID:	147675
PubChem CID:	53787332
Reduced:	OSN3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	222.06808
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	2.19
IP(EA), eV:	-9.05(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

Drug info:

PubChemData

Smile

CCCCSC(=NC(=O)N(CC)CC)N

DOS

IR

Vibrations