Geometry & MOs

Info

ID:	285163
PubChem CID:	104098437
Reduced:	N7C9H9 (1)
Stoich.:	A7B9C9 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	142.74
Dipole, Da:	4.96
IP(EA), eV:	-9.68(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(5-nitrothiophen-2-yl)methyl]pentan-2-amine

Drug info:

PubChemData

Smile

C1=CN=C(C(=N1)C#N)NCCN2C=CN=N2

DOS

IR

Vibrations