Geometry & MOs

Info

ID:	270579
PubChem CID:	103637170
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	310.04292
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	5.67
IP(EA), eV:	-8.85(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNCC2=C(C=C(C=C2)OC)O

DOS

IR

Vibrations