Geometry & MOs

Info

ID:	403155
PubChem CID:	135058997
Reduced:	ClN3O3H12C16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	327.00072
ΔH_f, kcal/mol:	-14.62
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-(5-phenyl-2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)NC2=C(C(=O)C3=CN=NC=C3C2=O)Cl

DOS

IR

Vibrations