Geometry & MOs

Info

ID:	216426
PubChem CID:	85086221
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	267.144326
ΔH_f, kcal/mol:	39.86
Dipole, Da:	1.48
IP(EA), eV:	-9.31(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(trimethylsilylmethyl)-2,2a-dihydro-1H-cyclobuta[a]naphthalene-8b-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCC2C1C=CC(C2C(=O)C3=CC=CN3)C#C

DOS

IR

Vibrations