Geometry & MOs

Info

ID:	405766
PubChem CID:	135075339
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	240.154557
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	9.15
IP(EA), eV:	-10.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-1-[2-(trimethylsilylmethyl)cyclopropyl]prop-1-enyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2=O)CC=C

DOS

IR

Vibrations