Geometry & MOs

Info

ID:	204689
PubChem CID:	79997617
Reduced:	BrSO2N3C10H14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	260.077262
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	3.6
IP(EA), eV:	-9.04(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-benzoxazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCCCC(=NO)N)Br

DOS

IR

Vibrations