Geometry & MOs

Info

ID:	289530
PubChem CID:	104359454
Reduced:	BrClNO3H7C14 (1)
Stoich.:	ABCD3E7F14 (1)
Weight, g/mol:	362.9774
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	7.02
IP(EA), eV:	-9.83(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C2=NC3=C(O2)C=CC(=C3)C(=O)O

DOS

IR

Vibrations