Geometry & MOs

Info

ID:	289556
PubChem CID:	104359487
Reduced:	BrClON4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	328.00904
ΔH_f, kcal/mol:	29.59
Dipole, Da:	5.36
IP(EA), eV:	-9.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromo-2-chlorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

COCCN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CN

DOS

IR

Vibrations