Geometry & MOs

Info

ID:	22001
PubChem CID:	594709
Reduced:	NO3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	177.042593
ΔH_f, kcal/mol:	-77.28
Dipole, Da:	4.76
IP(EA), eV:	-10.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,3-benzoxazole-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC(=C2O1)C(=O)O

DOS

IR

Vibrations