Geometry & MOs

Info

ID:	398161
PubChem CID:	135032063
Reduced:	NSiO5C25H41 (1)
Stoich.:	ABC5D25E41 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-264.95
Dipole, Da:	4.51
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-4,4-dimethyl-7-(3-oxobutyl)cyclohepta-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@]1([C@H](OC(=O)N1CC2=CC=CC=C2)[C@H](CO)COC)C3CCC3

DOS

IR

Vibrations