Geometry & MOs

Info

ID:	388164
PubChem CID:	134988376
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	20.01
Dipole, Da:	4.05
IP(EA), eV:	-9.09(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-tert-butylbicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C(C1=CC=CC=C1)C(=O)N(CC=C)CC=C

DOS

IR

Vibrations