Geometry & MOs

Info

ID:	2688
PubChem CID:	8267
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-71.96
Dipole, Da:	4.88
IP(EA), eV:	-9.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-thiocyanatoacetate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)OC(=O)CSC#N)C)C

DOS

IR

Vibrations