Geometry & MOs

Info

ID:	271207
PubChem CID:	103647867
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	376.89076
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	3.31
IP(EA), eV:	-9.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(3-bromothiophen-2-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations