Geometry & MOs

Info

ID:	11253
PubChem CID:	112494
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	3.18
IP(EA), eV:	-9.34(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butylphenyl)-2-methylpropanal

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)C(C)(C)C)C=O

DOS

IR

Vibrations