Geometry & MOs

Info

ID:	270568
PubChem CID:	103637132
Reduced:	BrN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	295.03202
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	5.2
IP(EA), eV:	-8.97(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations