Geometry & MOs

Info

ID:	206931
PubChem CID:	80321614
Reduced:	OSN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	254.145285
ΔH_f, kcal/mol:	10.37
Dipole, Da:	2.84
IP(EA), eV:	-8.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-6,6-dimethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2OCC1(CC3=NC=CS3)CN

DOS

IR

Vibrations