Geometry & MOs

Info

ID:	402661
PubChem CID:	135056785
Reduced:	ON2S2H4C6 (1)
Stoich.:	AB2C2D4E6 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	23.38
Dipole, Da:	4.01
IP(EA), eV:	-9.12(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,6-dimethyl-1,3-benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)/C(=C\1/C=NSS1)/C#N

DOS

IR

Vibrations