Geometry & MOs

Info

ID:	270578
PubChem CID:	103637164
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-60.0
Dipole, Da:	4.31
IP(EA), eV:	-8.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]-5-methoxyphenol

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCCNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations