Geometry & MOs

Info

ID:	293981
PubChem CID:	117420759
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	266.107357
ΔH_f, kcal/mol:	-46.81
Dipole, Da:	2.05
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-5-(cyclobutylmethoxy)phenyl]butanal

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC=CC2=C1N(N=C2Cl)C

DOS

IR

Vibrations