Geometry & MOs

Info

ID:	323482
PubChem CID:	126674947
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-39.3
Dipole, Da:	3.33
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclopentyloxymethyl)phenyl]propanal

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCCC3OCC4=CC=C(C=C4)CCC=O

DOS

IR

Vibrations