Geometry & MOs

Info

ID:	57849
PubChem CID:	24277766
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	446.078183
ΔH_f, kcal/mol:	28.71
Dipole, Da:	5.01
IP(EA), eV:	-9.37(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-phenyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2=CC3=C(ON=C3C=C2C)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations