Geometry & MOs

Info

ID:	288504
PubChem CID:	104317868
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	230.075451
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	10.2
IP(EA), eV:	-10.15(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-(3-hydroxybutoxy)benzaldehyde

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=O)O

DOS

IR

Vibrations