Geometry & MOs

Info

ID:	289558
PubChem CID:	104359489
Reduced:	BrClN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	313.99339
ΔH_f, kcal/mol:	49.64
Dipole, Da:	7.05
IP(EA), eV:	-9.68(-0.81)
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]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations