Geometry & MOs

Info

ID:	201263
PubChem CID:	79517015
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	3.93
IP(EA), eV:	-8.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-1,3,4-thiadiazol-2-yl)-4-butylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC)C2=C(C(=CC=C2)F)CN

DOS

IR

Vibrations