Geometry & MOs

Info

ID:	126950
PubChem CID:	50985227
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-130.0
Dipole, Da:	1.68
IP(EA), eV:	-8.84(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CCNC2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations