Geometry & MOs

Info

ID:	410545
PubChem CID:	135083344
Reduced:	SiN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	156.078644
ΔH_f, kcal/mol:	-29.85
Dipole, Da:	5.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761343
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4S,7R)-7-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[Si](C)(C)CC1=[N+](NOC1=O)C2=CC=CC=C2

DOS

IR

Vibrations