Geometry & MOs

Info

ID:	285148
PubChem CID:	104098369
Reduced:	SO3N4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	0.43
Dipole, Da:	7.92
IP(EA), eV:	-8.65(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(5-nitrothiophen-2-yl)methyl]quinolin-8-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)N)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations