Geometry & MOs

Info

ID:	271222
PubChem CID:	103648188
Reduced:	BrN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-103.49
Dipole, Da:	3.59
IP(EA), eV:	-9.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC(CCNCC1=CC=C(C=C1)Br)NC(=O)OC(C)(C)C

DOS

IR

Vibrations