Geometry & MOs

Info

ID:	206751
PubChem CID:	80295316
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	3.54
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCCO)NCC1=NC=CC=N1

DOS

IR

Vibrations