Geometry & MOs

Info

ID:	379976
PubChem CID:	134964418
Reduced:	NSH9C15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	133.55
Dipole, Da:	1.65
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bR,6aR,7aR)-4,4,6a-trimethyl-3,3a,3b,6,7,7a-hexahydrocyclopenta[a]pentalen-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C#CC3=CC=CS3

DOS

IR

Vibrations