Geometry & MOs

Info

ID:	216612
PubChem CID:	85086499
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	285.154891
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	3.76
IP(EA), eV:	-8.75(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-trimethylsilyloxytricyclo[7.4.0.02,5]trideca-1(13),9,11-triene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC3CCC(C2C(=O)C(C)C)N3C

DOS

IR

Vibrations