Geometry & MOs

Info

ID:	429492
PubChem CID:	135169541
Reduced:	NC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	431.166748
ΔH_f, kcal/mol:	64.83
Dipole, Da:	2.4
IP(EA), eV:	-8.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[[6-[(3-phenylpyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)NC1=NC=CN2C1=NC=C2CC(C)(C)NC3=CC=CC=N3

DOS

IR

Vibrations