Geometry & MOs

Info

ID:	290387
PubChem CID:	104441329
Reduced:	BrFN4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	38.19
Dipole, Da:	4.29
IP(EA), eV:	-9.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methoxy-3-methylphenyl)triazol-1-yl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)C2=CN(N=N2)CCN

DOS

IR

Vibrations