Geometry & MOs

Info

ID:	285143
PubChem CID:	104098333
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	311.95681
ΔH_f, kcal/mol:	-7.73
Dipole, Da:	7.72
IP(EA), eV:	-9.35(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(5-nitrothiophen-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

COCCC1(CC1)CNCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations