Geometry & MOs

Info

ID:	203857
PubChem CID:	79883470
Reduced:	NF2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-185.87
Dipole, Da:	6.38
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(6-nitro-1,3-benzoxazol-2-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)(COC1=C(C=C(C=C1F)CNC2CC2)F)C(=O)O

DOS

IR

Vibrations