Geometry & MOs

Info

ID:	206928
PubChem CID:	80321611
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	224.13472
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	1.66
IP(EA), eV:	-9.23(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-thiazol-2-ylmethyl)cycloheptyl]methanamine

Drug info:

PubChemData

Smile

C1CC(C(C1)(CC2=NC=CS2)CN)O

DOS

IR

Vibrations