Geometry & MOs

Info

ID:	270904
PubChem CID:	103638687
Reduced:	BrO2N3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-5.35
Dipole, Da:	6.53
IP(EA), eV:	-8.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-6-nitroaniline

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNC1=C(C=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations