Geometry & MOs

Info

ID:	159223
PubChem CID:	57264442
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	238.112443
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	3.21
IP(EA), eV:	-9.35(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenyl)-4-chlorobutanal

Drug info:

PubChemData

Smile

CCCC(=C(COC)COC)CCC

DOS

IR

Vibrations