Geometry & MOs

Info

ID:	285091
PubChem CID:	104097414
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	6.63
IP(EA), eV:	-9.52(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations