Geometry & MOs

Info

ID:	203407
PubChem CID:	79827081
Reduced:	SN5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	76.67
Dipole, Da:	3.65
IP(EA), eV:	-8.05(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(6-amino-5-nitropyridin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)SC2=NC(=C(C=C2)N)N

DOS

IR

Vibrations