Geometry & MOs

Info

ID:	285136
PubChem CID:	104098304
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	6.81
IP(EA), eV:	-9.64(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]hex-5-yn-1-amine

Drug info:

PubChemData

Smile

CC(CCCO)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations