Geometry & MOs

Info

ID:	32340
PubChem CID:	6436589
Reduced:	NC16H21 (1)
Stoich.:	AB16C21 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	37.98
Dipole, Da:	2.62
IP(EA), eV:	-8.69(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4E,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC/C(=C/C2=CC=CC=C2)/C(C1)N3CCC3

DOS

IR

Vibrations