Geometry & MOs

Info

ID:	424174
PubChem CID:	135121615
Reduced:	N4O4H16C25 (1)
Stoich.:	A4B4C16D25 (1)
Weight, g/mol:	500.05964
ΔH_f, kcal/mol:	56.58
Dipole, Da:	3.37
IP(EA), eV:	-8.64(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide

Drug info:

PubChemData

Smile

C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=NC4=CC=CC=C4N3C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations