Geometry & MOs

Info

ID:	292987
PubChem CID:	117368796
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	-33.24
Dipole, Da:	4.19
IP(EA), eV:	-8.88(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopropyl-1,3-benzothiazol-6-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)C3=CC=C(C=C3)C(CN)O

DOS

IR

Vibrations