Geometry & MOs

Info

ID:	45797
PubChem CID:	10517705
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	291.97827
ΔH_f, kcal/mol:	-85.43
Dipole, Da:	1.37
IP(EA), eV:	-8.46(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-2-(2-iodoethylsulfanylmethyl)bicyclo[2.2.1]hepta-2,5-diene

Drug info:

PubChemData

Smile

CN(C)C(=O)CCC(CC1=CC(=CC=C1)N)C(=O)N(C)C

DOS

IR

Vibrations