Geometry & MOs

Info

ID:	180304
PubChem CID:	76612265
Reduced:	NO2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	342.259022
ΔH_f, kcal/mol:	-74.28
Dipole, Da:	3.28
IP(EA), eV:	-10.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,4,7-trimethyl-5-tri(propan-2-yl)silyloxycycloheptan-1-one

Drug info:

PubChemData

Smile

CC1C2C1(C(=O)NC2=O)C

DOS

IR

Vibrations