Geometry & MOs

Info

ID:	371891
PubChem CID:	131277641
Reduced:	NOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	217.067369
ΔH_f, kcal/mol:	-47.14
Dipole, Da:	2.46
IP(EA), eV:	-9.48(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propan-2-ylamino)-1,3-benzothiazole-6-carbonitrile

Drug info:

PubChemData

Smile

CC1/C(=C/CCN)/CCO1

DOS

IR

Vibrations