Geometry & MOs

Info

ID:	285115
PubChem CID:	104098253
Reduced:	N2O2S2C9H12 (1)
Stoich.:	A2B2C2D9E12 (1)
Weight, g/mol:	224.061949
ΔH_f, kcal/mol:	14.72
Dipole, Da:	5.53
IP(EA), eV:	-8.9(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]pent-4-yn-1-amine

Drug info:

PubChemData

Smile

C1CSCC1NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations