Geometry & MOs

Info

ID:	201415
PubChem CID:	79537014
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	322.101896
ΔH_f, kcal/mol:	12.88
Dipole, Da:	1.63
IP(EA), eV:	-8.62(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)-2,1,3-benzothiadiazol-4-amine

Drug info:

PubChemData

Smile

CC(CC1CCCCN1)NC(C)CN2C=CC=N2

DOS

IR

Vibrations