Geometry & MOs

Info

ID:	242521
PubChem CID:	97301810
Reduced:	ClFON3C19H21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	214.018998
ΔH_f, kcal/mol:	-45.69
Dipole, Da:	1.83
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-4-nitro-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCNCCN1C(=O)CN[C@@H](C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F

DOS

IR

Vibrations