Geometry & MOs

Info

ID:	405832
PubChem CID:	135075593
Reduced:	N3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	247.076392
ΔH_f, kcal/mol:	-121.83
Dipole, Da:	2.28
IP(EA), eV:	-11.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chlorohex-1-ynyl)-5-methyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)N1C(=CN=N1)C(=O)O

DOS

IR

Vibrations