Geometry & MOs

Info

ID:	203787
PubChem CID:	79870443
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	4.4
Dipole, Da:	4.09
IP(EA), eV:	-8.86(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylcyclohexyl)-4-nitro-1,3-benzothiazol-5-amine

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)CNC2CCCCC2(C)C

DOS

IR

Vibrations