Geometry & MOs

Info

ID:	342642
PubChem CID:	127265802
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	294.007516
ΔH_f, kcal/mol:	41.83
Dipole, Da:	2.25
IP(EA), eV:	-8.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[1-chloro-2-(3-methyltriazol-4-yl)ethenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(=CC1=CN=C(C=C1)N(C)CCOC)C2=NC=CN=C2

DOS

IR

Vibrations