Geometry & MOs

Info

ID:	387022
PubChem CID:	134983700
Reduced:	C5H6 (3)
Stoich.:	A5B6 (3)
Weight, g/mol:	354.259022
ΔH_f, kcal/mol:	11.79
Dipole, Da:	0.84
IP(EA), eV:	-8.25(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S,4S)-2-butyl-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C2=C(C=CC=C12)C)CC

DOS

IR

Vibrations