Geometry & MOs

Info

ID:	292988
PubChem CID:	117368800
Reduced:	SN2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	45.33
Dipole, Da:	2.2
IP(EA), eV:	-9.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-1,3-benzothiazol-6-yl)cyclopropan-1-amine

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(S2)C=C(C=C3)CCCCN

DOS

IR

Vibrations