Geometry & MOs

Info

ID:	232956
PubChem CID:	87577809
Reduced:	ClO3N5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	328.131074
ΔH_f, kcal/mol:	-74.28
Dipole, Da:	5.11
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethoxy-1-ethylperoxy-2-oxo-2-phenylethyl)benzaldehyde

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2C[C@H](C3=C2N=C(N=C3Cl)N)CC(=O)O

DOS

IR

Vibrations