Geometry & MOs

Info

ID:	276457
PubChem CID:	103823386
Reduced:	BrClN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	345.91784
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	6.8
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-chloro-N-[(5-nitrothiophen-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CNC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations