Geometry & MOs

Info

ID:	398027
PubChem CID:	135031439
Reduced:	NO2H11C13 (3)
Stoich.:	AB2C11D13 (3)
Weight, g/mol:	220.164727
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	5.67
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aE,6Z)-2,3,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulen-4-yl]-trimethylsilane

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1COC2=CC=CC=C2C3=CN=CO3)C)COC4=CC=CC=C4C5=CN=CO5)C)COC6=CC=CC=C6C7=CN=CO7

DOS

IR

Vibrations