Geometry & MOs

Info

ID:	201336
PubChem CID:	79526361
Reduced:	N2O5C14H24 (1)
Stoich.:	A2B5C14D24 (1)
Weight, g/mol:	289.044046
ΔH_f, kcal/mol:	-245.7
Dipole, Da:	2.86
IP(EA), eV:	-9.67(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)NCC1CCC(CC1)C(=O)O

DOS

IR

Vibrations