Geometry & MOs

Info

ID:	285090
PubChem CID:	104097288
Reduced:	BrNO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	3.24
IP(EA), eV:	-9.31(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(COC1=CN=C(C=C1)Br)OC

DOS

IR

Vibrations