Geometry & MOs

Info

ID:	311450
PubChem CID:	126592909
Reduced:	ClO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	212.024022
ΔH_f, kcal/mol:	59.87
Dipole, Da:	2.43
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(oxetan-3-yloxy)benzaldehyde

Drug info:

PubChemData

Smile

C1CC1OC2=C(C=C(C=C2)C(=O)[C@H]3C[C@@H]3/C(=N/N)/N=N)Cl

DOS

IR

Vibrations