Geometry & MOs

Info

ID:	282664
PubChem CID:	103935202
Reduced:	NOC11H23 (1)
Stoich.:	ABC11D23 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-81.18
Dipole, Da:	3.45
IP(EA), eV:	-8.72(2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-2-hydroxypropyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C[C@H](C)O

DOS

IR

Vibrations