Geometry & MOs

Info

ID:	292989
PubChem CID:	117368869
Reduced:	SN2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	38.71
Dipole, Da:	2.13
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-1,3-benzothiazol-4-yl)cyclopropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(S1)C=C(C=C2)C3(CC3)N

DOS

IR

Vibrations