Geometry & MOs

Info

ID:	289533
PubChem CID:	104359458
Reduced:	BrClON3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	314.9774
ΔH_f, kcal/mol:	5.27
Dipole, Da:	6.28
IP(EA), eV:	-9.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromo-2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CO

DOS

IR

Vibrations