Geometry & MOs

Info

ID:	208898
PubChem CID:	80601105
Reduced:	BrOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	239.170771
ΔH_f, kcal/mol:	-36.23
Dipole, Da:	3.05
IP(EA), eV:	-8.83(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NCC2CCCCS2)Br

DOS

IR

Vibrations