Geometry & MOs

Info

ID:	437945
PubChem CID:	135227340
Reduced:	NOF4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	274.229666
ΔH_f, kcal/mol:	-250.99
Dipole, Da:	2.45
IP(EA), eV:	-10.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-ditert-butylphenyl)pentanal

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC(=C1)C(N)O)F)C(F)(F)F

DOS

IR

Vibrations